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

Systemtic Name: 1,3-benzodioxol-5-yl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid 1,3-benzodioxol-5-yl ester Formula: C22H23NO8S MolecularWeight: 461.48492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO8S/c1-2-28-21(24)15-3-6-18(7-4-15)32(26,27)23-11-9-16(10-12-23)22(25)31-17-5-8-19-20(13-17)30-14-29-19/h3-8,13,16H,2,9-12,14H2,1H3