[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H24N2O5S2/c1-15-9-10-16(13-18(15)29(25,26)22(2)3)21-19(23)14-27-20(24)11-12-28-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,21,23)