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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)OC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCC(CC1)OC(=O)[C@@H]2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H26N2O4S/c23-20(26-16-9-3-1-2-4-10-16)15-8-7-13-22(14-15)19-17-11-5-6-12-18(17)27(24,25)21-19/h5-6,11-12,15-16H,1-4,7-10,13-14H2/t15-/m1/s1