8-(4-methoxyphenyl)-2-methyl-2-[3-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]octanoic acid

Systemtic Name: 8-(4-methoxyphenyl)-2-methyl-2-[3-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]octanoic acid Openeye Name: 8-(4-methoxyphenyl)-2-methyl-2-[6-oxo-3-(p-tolylsulfonylamino)cyclohexa-1,3-dien-1-yl]octanoic acid CAS Name: 8-(4-methoxyphenyl)-2-methyl-2-[3-[(4-methylphenyl)sulfonylamino]-6-oxo-1-cyclohexa-1,3-dienyl]octanoic acid IUPAC Name: 8-(4-methoxyphenyl)-2-methyl-2-[3-[(4-methylphenyl)sulfonylamino]-6-oxocyclohexa-1,3-dien-1-yl]octanoic acid Traditional Name: 2-[6-keto-3-(tosylamino)cyclohexa-1,3-dien-1-yl]-8-(4-methoxyphenyl)-2-methyl-caprylic acid Formula: C29H35NO6S MolecularWeight: 525.6563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CCC(=O)C(=C2)C(C)(CCCCCCC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CCC(=O)C(=C2)C(C)(CCCCCCC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C29H35NO6S/c1-21-9-16-25(17-10-21)37(34,35)30-23-13-18-27(31)26(20-23)29(2,28(32)33)19-7-5-4-6-8-22-11-14-24(36-3)15-12-22/h9-17,20,30H,4-8,18-19H2,1-3H3,(H,32,33)