[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H23N3O4S2/c1-16-4-6-17(7-5-16)21-24-19(15-30-21)14-29-22(26)18-8-11-25(12-9-18)31(27,28)20-3-2-10-23-13-20/h2-7,10,13,15,18H,8-9,11-12,14H2,1H3