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

Systemtic Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-chlorophenyl)thiazol-4-yl]methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-(2-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=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4Cl

InChI

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