[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3,4-dimethyl-5-sulfamoyl-benzoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N)S(=O)(=O)N)C

InChI

InChI=1S/C19H19N3O5S/c1-12-9-15(10-17(13(12)2)28(21,25)26)19(24)27-8-7-18(23)22-16-6-4-3-5-14(16)11-20/h3-6,9-10H,7-8H2,1-2H3,(H,22,23)(H2,21,25,26)