[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-[allyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate Traditional Name: 3-[allyl(phenyl)sulfamoyl]benzoic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C25H21N3O5S/c1-2-15-28(21-11-4-3-5-12-21)34(31,32)22-13-8-10-19(16-22)25(30)33-18-24(29)27-23-14-7-6-9-20(23)17-26/h2-14,16H,1,15,18H2,(H,27,29)