2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C23H27NO7S MolecularWeight: 461.52798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H27NO7S/c1-2-28-18-7-9-20(10-8-18)32(26,27)24-13-11-17(12-14-24)23(25)30-16-19-15-29-21-5-3-4-6-22(21)31-19/h3-10,17,19H,2,11-16H2,1H3