7-(1,3-benzodioxol-5-yl)-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-heptanoic acid

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-heptanoic acid Openeye Name: 7-(1,3-benzodioxol-5-yl)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-heptanoic acid CAS Name: 7-(1,3-benzodioxol-5-yl)-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonylheptanoic acid IUPAC Name: 7-(1,3-benzodioxol-5-yl)-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonylheptanoic acid Traditional Name: 7-(1,3-benzodioxol-5-yl)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-enanthic acid Formula: C26H32O8S MolecularWeight: 504.59248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(CCCCC2=CC3=C(C=C2)OCO3)CC(=O)O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(CCCCC2=CC3=C(C=C2)OCO3)CC(=O)O)OC4CCCC4

InChI

InChI=1S/C26H32O8S/c1-31-22-13-11-21(15-25(22)34-19-7-3-4-8-19)35(29,30)20(16-26(27)28)9-5-2-6-18-10-12-23-24(14-18)33-17-32-23/h10-15,19-20H,2-9,16-17H2,1H3,(H,27,28)