[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[allyl(phenyl)sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate Traditional Name: 3-[allyl(phenyl)sulfamoyl]-4-chloro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCCC#N)Cl

Isomeric SMILES

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCCC#N)Cl

InChI

InChI=1S/C21H20ClN3O5S/c1-2-13-25(17-7-4-3-5-8-17)31(28,29)19-14-16(9-10-18(19)22)21(27)30-15-20(26)24-12-6-11-23/h2-5,7-10,14H,1,6,12-13,15H2,(H,24,26)