2-[4-[(4-chlorophenyl)sulfonylamino]butyl-[[3-[2-(4-cyclobutyl-1,3-thiazol-2-yl)ethyl]phenyl]methyl]sulfamoyl]benzoic acid

Systemtic Name: 2-[4-[(4-chlorophenyl)sulfonylamino]butyl-[[3-[2-(4-cyclobutyl-1,3-thiazol-2-yl)ethyl]phenyl]methyl]sulfamoyl]benzoic acid Openeye Name: 2-[4-[(4-chlorophenyl)sulfonylamino]butyl-[[3-[2-(4-cyclobutylthiazol-2-yl)ethyl]phenyl]methyl]sulfamoyl]benzoic acid CAS Name: 2-[4-[(4-chlorophenyl)sulfonylamino]butyl-[[3-[2-(4-cyclobutyl-2-thiazolyl)ethyl]phenyl]methyl]sulfamoyl]benzoic acid IUPAC Name: 2-[4-[(4-chlorophenyl)sulfonylamino]butyl-[[3-[2-(4-cyclobutyl-1,3-thiazol-2-yl)ethyl]phenyl]methyl]sulfamoyl]benzoic acid Traditional Name: 2-[4-[(4-chlorophenyl)sulfonylamino]butyl-[3-[2-(4-cyclobutylthiazol-2-yl)ethyl]benzyl]sulfamoyl]benzoic acid Formula: C33H36ClN3O6S3 MolecularWeight: 702.30344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=CSC(=N2)CCC3=CC(=CC=C3)CN(CCCCNS(=O)(=O)C4=CC=C(C=C4)Cl)S(=O)(=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CC(C1)C2=CSC(=N2)CCC3=CC(=CC=C3)CN(CCCCNS(=O)(=O)C4=CC=C(C=C4)Cl)S(=O)(=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C33H36ClN3O6S3/c34-27-14-16-28(17-15-27)45(40,41)35-19-3-4-20-37(46(42,43)31-12-2-1-11-29(31)33(38)39)22-25-8-5-7-24(21-25)13-18-32-36-30(23-44-32)26-9-6-10-26/h1-2,5,7-8,11-12,14-17,21,23,26,35H,3-4,6,9-10,13,18-20,22H2,(H,38,39)