[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H23ClN2O7S MolecularWeight: 494.94522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2O7S/c1-14(21(26)24-17-6-9-19-20(11-17)31-13-30-19)32-22(27)15-3-2-10-25(12-15)33(28,29)18-7-4-16(23)5-8-18/h4-9,11,14-15H,2-3,10,12-13H2,1H3,(H,24,26)