V0W

1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Created:	2021-04-01
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	6

2D diagram of V0W

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Chemical Component Summary
Name	1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
Systematic Name (OpenEye OEToolkits)	1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
Formula	C₁₃ H₂₀ N₂ O₂ S
Molecular Weight	268.375
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCCN(CC1)[S](=O)(=O)c2ccc(C)cc2
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C
Canonical SMILES	CACTVS	3.385	CN1CCCN(CC1)[S](=O)(=O)c2ccc(C)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C
InChI	InChI	1.03	InChI=1S/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14(2)10-11-15/h4-7H,3,8-11H2,1-2H3
InChIKey	InChI	1.03	XUCATVRSDLBKNC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2354155
ChEMBL	CHEMBL1626299

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