[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 4-(propan-2-ylsulfamoyl)benzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 4-(isopropylsulfamoyl)benzoate CAS Name: 4-(propan-2-ylsulfamoyl)benzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 4-(propan-2-ylsulfamoyl)benzoate Traditional Name: 4-(isopropylsulfamoyl)benzoic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-15(2)23-30(26,27)19-10-6-17(7-11-19)21(25)28-14-20(24)22-12-13-29-18-8-4-16(3)5-9-18/h4-11,15,23H,12-14H2,1-3H3,(H,22,24)