4-(2,4-dichlorophenyl)-2-(octylsulfonylamino)benzoic acid

Systemtic Name: 4-(2,4-dichlorophenyl)-2-(octylsulfonylamino)benzoic acid Openeye Name: 4-(2,4-dichlorophenyl)-2-(octylsulfonylamino)benzoic acid CAS Name: 4-(2,4-dichlorophenyl)-2-(octylsulfonylamino)benzoic acid IUPAC Name: 4-(2,4-dichlorophenyl)-2-(octylsulfonylamino)benzoic acid Traditional Name: 4-(2,4-dichlorophenyl)-2-(octylsulfonylamino)benzoic acid Formula: C21H25Cl2NO4S MolecularWeight: 458.3985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)C2=C(C=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)C2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H25Cl2NO4S/c1-2-3-4-5-6-7-12-29(27,28)24-20-13-15(8-10-18(20)21(25)26)17-11-9-16(22)14-19(17)23/h8-11,13-14,24H,2-7,12H2,1H3,(H,25,26)