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

Systemtic Name: 4-[[5-[3-[(4-carboxy-3-methyl-phenyl)carbonylamino]-4-oxidanyl-phenyl]sulfonyl-2-oxidanyl-phenyl]carbamoyl]-2-methyl-benzoic acid Openeye Name: 4-[[5-[3-[(4-carboxy-3-methyl-benzoyl)amino]-4-hydroxy-phenyl]sulfonyl-2-hydroxy-phenyl]carbamoyl]-2-methyl-benzoic acid CAS Name: 4-[[5-[3-[[(4-carboxy-3-methylphenyl)-oxomethyl]amino]-4-hydroxyphenyl]sulfonyl-2-hydroxyanilino]-oxomethyl]-2-methylbenzoic acid IUPAC Name: 4-[[5-[3-[(4-carboxy-3-methylbenzoyl)amino]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]carbamoyl]-2-methylbenzoic acid Traditional Name: 4-[[5-[3-[(4-carboxy-3-methyl-benzoyl)amino]-4-hydroxy-phenyl]sulfonyl-2-hydroxy-phenyl]carbamoyl]-2-methyl-benzoic acid Formula: C30H24N2O10S MolecularWeight: 604.58396

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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)C(=O)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)C(=O)O)C)O)C(=O)O

InChI

InChI=1S/C30H24N2O10S/c1-15-11-17(3-7-21(15)29(37)38)27(35)31-23-13-19(5-9-25(23)33)43(41,42)20-6-10-26(34)24(14-20)32-28(36)18-4-8-22(30(39)40)16(2)12-18/h3-14,33-34H,1-2H3,(H,31,35)(H,32,36)(H,37,38)(H,39,40)