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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C21H22N2O4S3 MolecularWeight: 462.60538

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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=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N2O4S3/c1-15-4-6-16(7-5-15)20-22-18(14-29-20)13-27-21(24)17-8-10-23(11-9-17)30(25,26)19-3-2-12-28-19/h2-7,12,14,17H,8-11,13H2,1H3