[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C20H20ClN3O6S MolecularWeight: 465.9073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C20H20ClN3O6S/c1-2-29-16-7-5-15(6-8-16)24(11-3-10-22)19(25)13-30-20(26)14-4-9-17(21)18(12-14)31(23,27)28/h4-9,12H,2-3,11,13H2,1H3,(H2,23,27,28)