[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C26H35N3O5S2 MolecularWeight: 533.7032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C26H35N3O5S2/c1-4-29(5-2)36(32,33)22-12-13-24(28-15-6-7-16-28)23(18-22)26(31)34-19-25(30)27-14-17-35-21-10-8-20(3)9-11-21/h8-13,18H,4-7,14-17,19H2,1-3H3,(H,27,30)