4-[[2-cyclohexylethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name: 4-[[2-cyclohexylethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[2-cyclohexylethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[2-cyclohexylethyl-(4-methoxyphenyl)sulfonylamino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[2-cyclohexylethyl-(4-methoxyphenyl)sulfonylamino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[2-cyclohexylethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-2-(o-tolyl)benzoic acid Formula: C30H35NO5S MolecularWeight: 521.6676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCC3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCC3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C30H35NO5S/c1-22-8-6-7-11-27(22)29-20-24(12-17-28(29)30(32)33)21-31(19-18-23-9-4-3-5-10-23)37(34,35)26-15-13-25(36-2)14-16-26/h6-8,11-17,20,23H,3-5,9-10,18-19,21H2,1-2H3,(H,32,33)