3-azanyl-2-(4-butylphenyl)sulfonyl-5-[4-[(4-butylphenyl)sulfonylamino]phenyl]sulfanyl-benzoic acid

Systemtic Name: 3-azanyl-2-(4-butylphenyl)sulfonyl-5-[4-[(4-butylphenyl)sulfonylamino]phenyl]sulfanyl-benzoic acid Openeye Name: 3-amino-2-(4-butylphenyl)sulfonyl-5-[4-[(4-butylphenyl)sulfonylamino]phenyl]sulfanyl-benzoic acid CAS Name: 3-amino-2-(4-butylphenyl)sulfonyl-5-[[4-[(4-butylphenyl)sulfonylamino]phenyl]thio]benzoic acid IUPAC Name: 3-amino-2-(4-butylphenyl)sulfonyl-5-[4-[(4-butylphenyl)sulfonylamino]phenyl]sulfanylbenzoic acid Traditional Name: 3-amino-2-(4-butylphenyl)sulfonyl-5-[[4-[(4-butylphenyl)sulfonylamino]phenyl]thio]benzoic acid Formula: C33H36N2O6S3 MolecularWeight: 652.84374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2C(=O)O)SC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)CCCC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2C(=O)O)SC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)CCCC)N

InChI

InChI=1S/C33H36N2O6S3/c1-3-5-7-23-9-17-28(18-10-23)43(38,39)32-30(33(36)37)21-27(22-31(32)34)42-26-15-13-25(14-16-26)35-44(40,41)29-19-11-24(12-20-29)8-6-4-2/h9-22,35H,3-8,34H2,1-2H3,(H,36,37)