4-chloranyl-2-(1-phenylbutylamino)-5-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-2-(1-phenylbutylamino)-5-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid Openeye Name: 4-chloro-2-(1-phenylbutylamino)-5-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid CAS Name: 4-chloro-2-(1-phenylbutylamino)-5-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid IUPAC Name: 4-chloro-2-(1-phenylbutylamino)-5-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid Traditional Name: 4-chloro-2-(1-phenylbutylamino)-5-[(4-sulfamoylbenzyl)sulfamoyl]benzoic acid Formula: C24H26ClN3O6S2 MolecularWeight: 552.06274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC2=CC(=C(C=C2C(=O)O)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=CC(=C(C=C2C(=O)O)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)Cl

InChI

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