1,3-benzodioxol-5-yl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid 1,3-benzodioxol-5-yl ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23NO7S/c1-2-26-16-3-6-18(7-4-16)30(24,25)22-11-9-15(10-12-22)21(23)29-17-5-8-19-20(13-17)28-14-27-19/h3-8,13,15H,2,9-12,14H2,1H3