[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-methyl-3-(p-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(p-tolylsulfamoyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3(CCCC3)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3(CCCC3)C#N)C

InChI

InChI=1S/C23H25N3O5S/c1-16-5-9-19(10-6-16)26-32(29,30)20-13-18(8-7-17(20)2)22(28)31-14-21(27)25-23(15-24)11-3-4-12-23/h5-10,13,26H,3-4,11-12,14H2,1-2H3,(H,25,27)