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

Systemtic Name: 4-[[(4-bromophenyl)sulfonyl-(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[[(4-bromophenyl)sulfonyl-(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[[(4-bromophenyl)sulfonyl-(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[[(4-bromophenyl)sulfonyl-(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[[brosyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoic acid Formula: C29H32BrNO4S MolecularWeight: 570.53768

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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)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H32BrNO4S/c1-21-7-5-6-10-26(21)28-19-23(11-16-27(28)29(32)33)20-31(18-17-22-8-3-2-4-9-22)36(34,35)25-14-12-24(30)13-15-25/h5-7,10-16,19,22H,2-4,8-9,17-18,20H2,1H3,(H,32,33)