2-[(4-butylphenyl)sulfonylamino]-5-[3-methoxycarbonyl-4-(phenylsulfonylamino)phenoxy]benzoic acid

Systemtic Name: 2-[(4-butylphenyl)sulfonylamino]-5-[3-methoxycarbonyl-4-(phenylsulfonylamino)phenoxy]benzoic acid Openeye Name: 5-[4-(benzenesulfonamido)-3-methoxycarbonyl-phenoxy]-2-[(4-butylphenyl)sulfonylamino]benzoic acid CAS Name: 5-[4-(benzenesulfonamido)-3-methoxycarbonylphenoxy]-2-[(4-butylphenyl)sulfonylamino]benzoic acid IUPAC Name: 5-[4-(benzenesulfonamido)-3-methoxycarbonylphenoxy]-2-[(4-butylphenyl)sulfonylamino]benzoic acid Traditional Name: 5-[4-(benzenesulfonamido)-3-carbomethoxy-phenoxy]-2-[(4-butylphenyl)sulfonylamino]benzoic acid Formula: C31H30N2O9S2 MolecularWeight: 638.7079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)OC3=CC(=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C(=O)OC)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)OC3=CC(=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C(=O)OC)C(=O)O

InChI

InChI=1S/C31H30N2O9S2/c1-3-4-8-21-11-15-25(16-12-21)44(39,40)32-28-17-13-22(19-26(28)30(34)35)42-23-14-18-29(27(20-23)31(36)41-2)33-43(37,38)24-9-6-5-7-10-24/h5-7,9-20,32-33H,3-4,8H2,1-2H3,(H,34,35)