[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O5S/c1-10(16(22)21-12-4-2-3-11(7-12)9-19)26-17(23)14-8-13(27(20,24)25)5-6-15(14)18/h2-8,10H,1H3,(H,21,22)(H2,20,24,25)