[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-chlorophenyl)thiazol-4-yl]methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(4-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-(4-chlorophenyl)thiazol-4-yl]methyl ester Formula: C23H23ClN2O4S2 MolecularWeight: 491.02272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN2O4S2/c1-16-2-8-21(9-3-16)32(28,29)26-12-10-18(11-13-26)23(27)30-14-20-15-31-22(25-20)17-4-6-19(24)7-5-17/h2-9,15,18H,10-14H2,1H3