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

Systemtic Name: cyclohexylmethyl (3R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: cyclohexylmethyl (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 cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl (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 cyclohexylmethyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/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/h4-5,10-11,15-16H,1-3,6-9,12-14H2/t16-/m1/s1