methyl 1-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H28N2O5S2/c1-17-4-6-19(7-5-17)25(32(28,29)21-10-8-20(31-3)9-11-21)16-22(26)24-14-12-18(13-15-24)23(27)30-2/h4-11,18H,12-16H2,1-3H3