2-[(4-butoxyphenyl)sulfonylamino]-5-[[3-(4-tert-butylphenoxy)phenyl]methylamino]benzoic acid

Systemtic Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-[[3-(4-tert-butylphenoxy)phenyl]methylamino]benzoic acid Openeye Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-[[3-(4-tert-butylphenoxy)phenyl]methylamino]benzoic acid CAS Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-[[3-(4-tert-butylphenoxy)phenyl]methylamino]benzoic acid IUPAC Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-[[3-(4-tert-butylphenoxy)phenyl]methylamino]benzoic acid Traditional Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-[[3-(4-tert-butylphenoxy)benzyl]amino]benzoic acid Formula: C34H38N2O6S MolecularWeight: 602.74032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)NCC3=CC(=CC=C3)OC4=CC=C(C=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)NCC3=CC(=CC=C3)OC4=CC=C(C=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C34H38N2O6S/c1-5-6-20-41-27-15-17-30(18-16-27)43(39,40)36-32-19-12-26(22-31(32)33(37)38)35-23-24-8-7-9-29(21-24)42-28-13-10-25(11-14-28)34(2,3)4/h7-19,21-22,35-36H,5-6,20,23H2,1-4H3,(H,37,38)