[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-[(phenylmethyl)-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-[(phenylmethyl)-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate CAS Name: 3-[(phenylmethyl)-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate Traditional Name: 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C31H26F3NO7S MolecularWeight: 613.60085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F)OC

InChI

InChI=1S/C31H26F3NO7S/c1-40-28-15-14-22(17-29(28)41-2)27(36)20-42-30(37)23-10-6-13-26(16-23)43(38,39)35(19-21-8-4-3-5-9-21)25-12-7-11-24(18-25)31(32,33)34/h3-18H,19-20H2,1-2H3