methyl 2-[4-[2-(4-methylphenyl)sulfanylethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[2-(4-methylphenyl)sulfanylethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[2-(p-tolylsulfanyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[2-[(4-methylphenyl)thio]ethylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-(4-methylphenyl)sulfanylethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[2-(p-tolylthio)ethylcarbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H28N2O5S2/c1-17-7-9-19(10-8-17)31-16-13-24-22(26)18-11-14-25(15-12-18)32(28,29)21-6-4-3-5-20(21)23(27)30-2/h3-10,18H,11-16H2,1-2H3,(H,24,26)