[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C25H29NO7S MolecularWeight: 487.56526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H29NO7S/c1-25(2,3)19-5-7-20(8-6-19)34(29,30)26-12-10-17(11-13-26)24(28)31-15-21(27)18-4-9-22-23(14-18)33-16-32-22/h4-9,14,17H,10-13,15-16H2,1-3H3