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

Systemtic Name: 4-[[2-cyclohexylethyl-(4-nitrophenyl)sulfonyl-amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[2-cyclohexylethyl-(4-nitrophenyl)sulfonyl-amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[2-cyclohexylethyl-(4-nitrophenyl)sulfonylamino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[2-cyclohexylethyl-(4-nitrophenyl)sulfonylamino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[2-cyclohexylethyl(nosyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C29H32N2O6S MolecularWeight: 536.63918

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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)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCC3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C29H32N2O6S/c1-21-7-5-6-10-26(21)28-19-23(11-16-27(28)29(32)33)20-30(18-17-22-8-3-2-4-9-22)38(36,37)25-14-12-24(13-15-25)31(34)35/h5-7,10-16,19,22H,2-4,8-9,17-18,20H2,1H3,(H,32,33)