4-chloranyl-2-(2-phenylbutylamino)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid

Systemtic Name: 4-chloranyl-2-(2-phenylbutylamino)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid Openeye Name: 4-chloro-2-(2-phenylbutylamino)-5-(2-pyridylmethylsulfamoyl)benzoic acid CAS Name: 4-chloro-2-(2-phenylbutylamino)-5-(2-pyridinylmethylsulfamoyl)benzoic acid IUPAC Name: 4-chloro-2-(2-phenylbutylamino)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid Traditional Name: 4-chloro-2-(2-phenylbutylamino)-5-(2-pyridylmethylsulfamoyl)benzoic acid Formula: C23H24ClN3O4S MolecularWeight: 473.97236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC2=CC=CC=N2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC2=CC=CC=N2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H24ClN3O4S/c1-2-16(17-8-4-3-5-9-17)14-26-21-13-20(24)22(12-19(21)23(28)29)32(30,31)27-15-18-10-6-7-11-25-18/h3-13,16,26-27H,2,14-15H2,1H3,(H,28,29)