3-(butylamino)-4-(phenylsulfinyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(butylamino)-4-(phenylsulfinyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-(benzenesulfinyl)-3-(butylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(benzenesulfinyl)-3-(butylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-(benzenesulfinyl)-3-(butylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(benzenesulfinyl)-3-(butylamino)-5-sulfamoyl-benzoic acid Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)S(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)S(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O5S2/c1-2-3-9-19-14-10-12(17(20)21)11-15(26(18,23)24)16(14)25(22)13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,23,24)