4-chloranyl-5-(2-methylpropylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid

Systemtic Name: 4-chloranyl-5-(2-methylpropylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid Openeye Name: 4-chloro-5-(isobutylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid CAS Name: 4-chloro-5-(2-methylpropylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid IUPAC Name: 4-chloro-5-(2-methylpropylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid Traditional Name: 4-chloro-5-(isobutylsulfamoyl)-2-(2-phenylbutylamino)benzoic acid Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C21H27ClN2O4S/c1-4-15(16-8-6-5-7-9-16)13-23-19-11-18(22)20(10-17(19)21(25)26)29(27,28)24-12-14(2)3/h5-11,14-15,23-24H,4,12-13H2,1-3H3,(H,25,26)