(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O5S2/c1-15-18(22-20(28-15)19-8-5-13-29-19)14-27-21(24)16-9-11-23(12-10-16)30(25,26)17-6-3-2-4-7-17/h2-8,13,16H,9-12,14H2,1H3