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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O4S2/c23-20(26-14-19-21-17-8-4-5-9-18(17)27-19)15-10-12-22(13-11-15)28(24,25)16-6-2-1-3-7-16/h1-9,15H,10-14H2