4-chloranyl-2-(2-phenylbutylamino)-5-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-2-(2-phenylbutylamino)-5-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid Openeye Name: 4-chloro-2-(2-phenylbutylamino)-5-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid CAS Name: 4-chloro-2-(2-phenylbutylamino)-5-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid IUPAC Name: 4-chloro-2-(2-phenylbutylamino)-5-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid Traditional Name: 4-chloro-2-(2-phenylbutylamino)-5-[(4-sulfamoylbenzyl)sulfamoyl]benzoic acid Formula: C24H26ClN3O6S2 MolecularWeight: 552.06274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)Cl)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C24H26ClN3O6S2/c1-2-17(18-6-4-3-5-7-18)15-27-22-13-21(25)23(12-20(22)24(29)30)36(33,34)28-14-16-8-10-19(11-9-16)35(26,31)32/h3-13,17,27-28H,2,14-15H2,1H3,(H,29,30)(H2,26,31,32)