cyclohexyl (3R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate

Systemtic Name: cyclohexyl (3R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: cyclohexyl (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: (3R)-1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid cyclohexyl ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@@H]2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H24N2O4S/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/h4-5,10-11,14-15H,1-3,6-9,12-13H2/t14-/m1/s1