(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C23H26ClNO7S MolecularWeight: 495.97304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C23H26ClNO7S/c1-2-29-18-3-5-19(6-4-18)33(27,28)25-9-7-17(8-10-25)23(26)32-15-16-13-20(24)22-21(14-16)30-11-12-31-22/h3-6,13-14,17H,2,7-12,15H2,1H3