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

Systemtic Name: 4-chloranyl-5-(cyclohexylmethylsulfamoyl)-2-(1-phenylbutylamino)benzoic acid Openeye Name: 4-chloro-5-(cyclohexylmethylsulfamoyl)-2-(1-phenylbutylamino)benzoic acid CAS Name: 4-chloro-5-(cyclohexylmethylsulfamoyl)-2-(1-phenylbutylamino)benzoic acid IUPAC Name: 4-chloro-5-(cyclohexylmethylsulfamoyl)-2-(1-phenylbutylamino)benzoic acid Traditional Name: 4-chloro-5-(cyclohexylmethylsulfamoyl)-2-(1-phenylbutylamino)benzoic acid Formula: C24H31ClN2O4S MolecularWeight: 479.03194

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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)NCC3CCCCC3)Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=CC(=C(C=C2C(=O)O)S(=O)(=O)NCC3CCCCC3)Cl

InChI

InChI=1S/C24H31ClN2O4S/c1-2-9-21(18-12-7-4-8-13-18)27-22-15-20(25)23(14-19(22)24(28)29)32(30,31)26-16-17-10-5-3-6-11-17/h4,7-8,12-15,17,21,26-27H,2-3,5-6,9-11,16H2,1H3,(H,28,29)