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

Systemtic Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C34H40N4O10S2 MolecularWeight: 728.8322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H20N2O5S/c2*1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h2*4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)