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

Systemtic Name: phenacyl (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: phenacyl (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 phenacyl ester IUPAC Name: phenacyl (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 phenacyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c24-18(15-7-2-1-3-8-15)14-28-21(25)16-9-6-12-23(13-16)20-17-10-4-5-11-19(17)29(26,27)22-20/h1-5,7-8,10-11,16H,6,9,12-14H2/t16-/m0/s1