[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C25H25NO6S2 MolecularWeight: 499.5991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)SC)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C25H25NO6S2/c1-26(16-18-7-5-4-6-8-18)34(29,30)24-15-20(11-14-23(24)31-2)25(28)32-17-22(27)19-9-12-21(33-3)13-10-19/h4-15H,16-17H2,1-3H3