[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-[allyl-(4-chlorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(4-chlorophenyl)sulfamoyl]benzoic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C27H27ClN2O7S MolecularWeight: 559.03048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC=C)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC=C)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C27H27ClN2O7S/c1-4-14-30(22-11-9-21(28)10-12-22)38(33,34)23-7-5-6-20(16-23)27(32)37-18-26(31)29-17-19-8-13-24(35-2)25(15-19)36-3/h4-13,15-16H,1,14,17-18H2,2-3H3,(H,29,31)