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N48

Summary
Name:4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide
Formula:C19 H17 N3 O4 S
Formal charge:0
Formula weight:383.421 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide
OpenEye OEToolkits2.0.54-cyano-~{N}-(7-methoxy-1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=C(C)c2c(N1C)cc(c(c2)NS(=O)(=O)c3ccc(cc3)C#N)OC
InChIInChI1.03InChI=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
InChIKeyInChI1.03OHKRNOLZIOHQBM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc2N(C)C(=O)C=C(C)c2cc1N[S](=O)(=O)c3ccc(cc3)C#N
SMILESCACTVS3.385COc1cc2N(C)C(=O)C=C(C)c2cc1N[S](=O)(=O)c3ccc(cc3)C#N
SMILES_CANONICALOpenEye OEToolkits2.0.5CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C
SMILESOpenEye OEToolkits2.0.5CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C

223532

PDB entries from 2024-08-07

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