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

Systemtic Name: 3-(butylamino)-4-(4-chloranylsulfonylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(butylamino)-4-(4-chlorosulfonylphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(butylamino)-4-(4-chlorosulfonylphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(butylamino)-4-(4-chlorosulfonylphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(butylamino)-4-(4-chlorosulfonylphenoxy)-5-sulfamoyl-benzoic acid Formula: C17H19ClN2O7S2 MolecularWeight: 462.92496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=C(C=C2)S(=O)(=O)Cl

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C17H19ClN2O7S2/c1-2-3-8-20-14-9-11(17(21)22)10-15(29(19,25)26)16(14)27-12-4-6-13(7-5-12)28(18,23)24/h4-7,9-10,20H,2-3,8H2,1H3,(H,21,22)(H2,19,25,26)