1-(1,3-benzothiazol-2-yl)ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: 1-(1,3-benzothiazol-2-yl)ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-yl)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid 1-(1,3-benzothiazol-2-yl)ethyl ester IUPAC Name: 1-(1,3-benzothiazol-2-yl)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid 1-(1,3-benzothiazol-2-yl)ethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O4S2/c1-15(20-22-18-9-5-6-10-19(18)28-20)27-21(24)16-11-13-23(14-12-16)29(25,26)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3