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

Systemtic Name: (2-propoxyphenyl) (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: (2-propoxyphenyl) (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 (2-propoxyphenyl) ester IUPAC Name: (2-propoxyphenyl) (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 (2-propoxyphenyl) ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CCCOC1=CC=CC=C1OC(=O)[C@H]2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N2O5S/c1-2-14-28-18-10-4-5-11-19(18)29-22(25)16-8-7-13-24(15-16)21-17-9-3-6-12-20(17)30(26,27)23-21/h3-6,9-12,16H,2,7-8,13-15H2,1H3/t16-/m0/s1