3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-6-[methyl(phenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-6-[methyl(phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-6-(N-methylanilino)-6-oxo-hexanoic acid CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(N-methylanilino)-6-oxohexanoic acid IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-6-(N-methylanilino)-6-oxohexanoic acid Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-6-keto-6-(N-methylanilino)hexanoic acid Formula: C25H31NO7S MolecularWeight: 489.58114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CCC(CC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CCC(CC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C25H31NO7S/c1-26(18-8-4-3-5-9-18)24(27)15-13-21(17-25(28)29)34(30,31)20-12-14-22(32-2)23(16-20)33-19-10-6-7-11-19/h3-5,8-9,12,14,16,19,21H,6-7,10-11,13,15,17H2,1-2H3,(H,28,29)