2-methyl-4-[[5-[3-[(3-methyl-4-oxidanyl-phenyl)carbonylamino]-4-oxidanyl-phenyl]sulfonyl-2-oxidanyl-phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-methyl-4-[[5-[3-[(3-methyl-4-oxidanyl-phenyl)carbonylamino]-4-oxidanyl-phenyl]sulfonyl-2-oxidanyl-phenyl]carbamoyl]benzoic acid Openeye Name: 4-[[2-hydroxy-5-[4-hydroxy-3-[(4-hydroxy-3-methyl-benzoyl)amino]phenyl]sulfonyl-phenyl]carbamoyl]-2-methyl-benzoic acid CAS Name: 4-[[2-hydroxy-5-[4-hydroxy-3-[[(4-hydroxy-3-methylphenyl)-oxomethyl]amino]phenyl]sulfonylanilino]-oxomethyl]-2-methylbenzoic acid IUPAC Name: 4-[[2-hydroxy-5-[4-hydroxy-3-[(4-hydroxy-3-methylbenzoyl)amino]phenyl]sulfonylphenyl]carbamoyl]-2-methylbenzoic acid Traditional Name: 4-[[2-hydroxy-5-[4-hydroxy-3-[(4-hydroxy-3-methyl-benzoyl)amino]phenyl]sulfonyl-phenyl]carbamoyl]-2-methyl-benzoic acid Formula: C29H24N2O9S MolecularWeight: 576.57386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C3=CC(=C(C=C3)O)NC(=O)C4=CC(=C(C=C4)O)C)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C3=CC(=C(C=C3)O)NC(=O)C4=CC(=C(C=C4)O)C)O)C(=O)O

InChI

InChI=1S/C29H24N2O9S/c1-15-11-17(3-7-21(15)29(37)38)27(35)30-22-13-19(5-9-25(22)33)41(39,40)20-6-10-26(34)23(14-20)31-28(36)18-4-8-24(32)16(2)12-18/h3-14,32-34H,1-2H3,(H,30,35)(H,31,36)(H,37,38)