4-chloranyl-5-(2-methylpropylsulfamoyl)-2-(1-phenylbutylamino)benzoic acid

Systemtic Name: 4-chloranyl-5-(2-methylpropylsulfamoyl)-2-(1-phenylbutylamino)benzoic acid Openeye Name: 4-chloro-5-(isobutylsulfamoyl)-2-(1-phenylbutylamino)benzoic acid CAS Name: 4-chloro-5-(2-methylpropylsulfamoyl)-2-(1-phenylbutylamino)benzoic acid IUPAC Name: 4-chloro-5-(2-methylpropylsulfamoyl)-2-(1-phenylbutylamino)benzoic acid Traditional Name: 4-chloro-5-(isobutylsulfamoyl)-2-(1-phenylbutylamino)benzoic acid Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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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)NCC(C)C)Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=CC(=C(C=C2C(=O)O)S(=O)(=O)NCC(C)C)Cl

InChI

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