[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H20ClN3O5S MolecularWeight: 497.9507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H20ClN3O5S/c1-16(23(29)28-20-9-5-8-18(12-20)14-26)33-24(30)19-10-11-21(25)22(13-19)34(31,32)27-15-17-6-3-2-4-7-17/h2-13,16,27H,15H2,1H3,(H,28,29)