62K

2-methylpropyl (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylate

Created: 2011-07-15
Last modified:  2013-05-08

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count51
Aromatic Bond Count12
2D diagram of 62K
Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-methylpropyl (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylate
Systematic Name (OpenEye OEToolkits)2-methylpropyl (3Z)-2-oxidanylidene-3-[(4-sulfamoylphenyl)hydrazinylidene]-1H-indole-5-carboxylate
FormulaC19 H20 N4 O5 S
Molecular Weight416.451
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=S(=O)(N)c1ccc(cc1)N/N=C3/c2cc(ccc2NC3=O)C(=O)OCC(C)C
SMILESCACTVS3.370CC(C)COC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)[S](N)(=O)=O)c2c1
SMILESOpenEye OEToolkits1.7.2CC(C)COC(=O)c1ccc2c(c1)C(=NNc3ccc(cc3)S(=O)(=O)N)C(=O)N2
Canonical SMILESCACTVS3.370 CC(C)COC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)[S](N)(=O)=O)c2c1
Canonical SMILESOpenEye OEToolkits1.7.2 CC(C)COC(=O)c1ccc2c(c1)/C(=N/Nc3ccc(cc3)S(=O)(=O)N)/C(=O)N2
InChIInChI1.03 InChI=1S/C19H20N4O5S/c1-11(2)10-28-19(25)12-3-8-16-15(9-12)17(18(24)21-16)23-22-13-4-6-14(7-5-13)29(20,26)27/h3-9,11,22H,10H2,1-2H3,(H2,20,26,27)(H,21,23,24)
InChIKeyInChI1.03 JQMQQPJLUPJHES-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 70701512