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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl (2S)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-tosylpipecolinic 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)N2CCCCC2C(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C21H22N2O4S3/c1-15-5-7-18(8-6-15)30(25,26)23-10-3-2-4-19(23)21(24)27-12-17-14-29-20(22-17)16-9-11-28-13-16/h5-9,11,13-14,19H,2-4,10,12H2,1H3/t19-/m0/s1