5-[4-[(4-butoxyphenyl)sulfonylamino]-3-carboxy-phenyl]carbonyl-2-[(4-propan-2-yloxyphenyl)carbonylamino]benzoic acid

Systemtic Name: 5-[4-[(4-butoxyphenyl)sulfonylamino]-3-carboxy-phenyl]carbonyl-2-[(4-propan-2-yloxyphenyl)carbonylamino]benzoic acid Openeye Name: 5-[4-[(4-butoxyphenyl)sulfonylamino]-3-carboxy-benzoyl]-2-[(4-isopropoxybenzoyl)amino]benzoic acid CAS Name: 5-[[4-[(4-butoxyphenyl)sulfonylamino]-3-carboxyphenyl]-oxomethyl]-2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]benzoic acid IUPAC Name: 5-[4-[(4-butoxyphenyl)sulfonylamino]-3-carboxybenzoyl]-2-[(4-propan-2-yloxybenzoyl)amino]benzoic acid Traditional Name: 5-[4-[(4-butoxyphenyl)sulfonylamino]-3-carboxy-benzoyl]-2-[(4-isopropoxybenzoyl)amino]benzoic acid Formula: C35H34N2O10S MolecularWeight: 674.71686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)OC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)OC(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C35H34N2O10S/c1-4-5-18-46-25-12-14-27(15-13-25)48(44,45)37-31-17-9-24(20-29(31)35(42)43)32(38)23-8-16-30(28(19-23)34(40)41)36-33(39)22-6-10-26(11-7-22)47-21(2)3/h6-17,19-21,37H,4-5,18H2,1-3H3,(H,36,39)(H,40,41)(H,42,43)