(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-(3-thienyl)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)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

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

InChI

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