[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylethylsulfamoyl)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylethylsulfamoyl)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(1-phenylethylsulfamoyl)benzoate CAS Name: 3-(1-phenylethylsulfamoyl)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(1-phenylethylsulfamoyl)benzoate Traditional Name: 3-(1-phenylethylsulfamoyl)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H23N3O5S/c1-19(20-9-4-2-5-10-20)27-34(31,32)23-14-8-11-21(17-23)25(30)33-18-24(29)28(16-15-26)22-12-6-3-7-13-22/h2-14,17,19,27H,16,18H2,1H3