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

Systemtic Name: (4-propanoylphenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: (4-propanoylphenyl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid (4-propionylphenyl) ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-2-19(25)15-9-11-17(12-10-15)29-22(26)16-6-5-13-24(14-16)21-18-7-3-4-8-20(18)30(27,28)23-21/h3-4,7-12,16H,2,5-6,13-14H2,1H3