5-[4-[(4-butylphenyl)sulfonyl-methyl-amino]phenoxy]-2-[(4-methylphenyl)carbonylamino]benzoic acid

Systemtic Name: 5-[4-[(4-butylphenyl)sulfonyl-methyl-amino]phenoxy]-2-[(4-methylphenyl)carbonylamino]benzoic acid Openeye Name: 5-[4-[(4-butylphenyl)sulfonyl-methyl-amino]phenoxy]-2-[(4-methylbenzoyl)amino]benzoic acid CAS Name: 5-[4-[(4-butylphenyl)sulfonyl-methylamino]phenoxy]-2-[[(4-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 5-[4-[(4-butylphenyl)sulfonyl-methylamino]phenoxy]-2-[(4-methylbenzoyl)amino]benzoic acid Traditional Name: 5-[4-[(4-butylphenyl)sulfonyl-methyl-amino]phenoxy]-2-(p-toluoylamino)benzoic acid Formula: C32H32N2O6S MolecularWeight: 572.67128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)C)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)C)C(=O)O

InChI

InChI=1S/C32H32N2O6S/c1-4-5-6-23-9-18-28(19-10-23)41(38,39)34(3)25-13-15-26(16-14-25)40-27-17-20-30(29(21-27)32(36)37)33-31(35)24-11-7-22(2)8-12-24/h7-21H,4-6H2,1-3H3,(H,33,35)(H,36,37)