(phenylmethyl) (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate

Systemtic Name: (phenylmethyl) (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: benzyl (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid benzyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H20N2O4S/c23-20(26-14-15-7-2-1-3-8-15)16-9-6-12-22(13-16)19-17-10-4-5-11-18(17)27(24,25)21-19/h1-5,7-8,10-11,16H,6,9,12-14H2/t16-/m0/s1