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

Systemtic Name: phenyl (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: phenyl (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 phenyl ester IUPAC Name: phenyl (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 phenyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C19H18N2O4S/c22-19(25-15-8-2-1-3-9-15)14-7-6-12-21(13-14)18-16-10-4-5-11-17(16)26(23,24)20-18/h1-5,8-11,14H,6-7,12-13H2/t14-/m0/s1