N48

4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide

Created:	2016-08-30
Last modified:	2017-02-08

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1 entries where N48 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	12

2D diagram of N48

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Chemical Component Summary
Name	4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	4-cyano-~{N}-(7-methoxy-1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)benzenesulfonamide
Formula	C₁₉ H₁₇ N₃ O₄ S
Molecular Weight	383.421
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C=C(C)c2c(N1C)cc(c(c2)NS(=O)(=O)c3ccc(cc3)C#N)OC
SMILES	CACTVS	3.385	COc1cc2N(C)C(=O)C=C(C)c2cc1N[S](=O)(=O)c3ccc(cc3)C#N
SMILES	OpenEye OEToolkits	2.0.5	CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C
Canonical SMILES	CACTVS	3.385	COc1cc2N(C)C(=O)C=C(C)c2cc1N[S](=O)(=O)c3ccc(cc3)C#N
Canonical SMILES	OpenEye OEToolkits	2.0.5	CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C
InChI	InChI	1.03	InChI=1S/C19H17N3O4S/c1-12-8-19(23)22(2)17-10-18(26-3)16(9-15(12)17)21-27(24,25)14-6-4-13(11-20)5-7-14/h4-10,21H,1-3H3
InChIKey	InChI	1.03	OHKRNOLZIOHQBM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4096095
PubChem	118933136
ChEMBL	CHEMBL4096095

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