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

Systemtic Name: (4-methoxyphenyl) (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: (4-methoxyphenyl) (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 (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) (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 (4-methoxyphenyl) ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)[C@H]2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H20N2O5S/c1-26-15-8-10-16(11-9-15)27-20(23)14-5-4-12-22(13-14)19-17-6-2-3-7-18(17)28(24,25)21-19/h2-3,6-11,14H,4-5,12-13H2,1H3/t14-/m0/s1