3-[(4-ethoxy-4-oxidanylidene-butyl)amino]-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-[(4-ethoxy-4-oxidanylidene-butyl)amino]-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-[(4-ethoxy-4-oxo-butyl)amino]-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-[(4-ethoxy-4-oxobutyl)amino]-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-[(4-ethoxy-4-oxobutyl)amino]-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-[(4-ethoxy-4-keto-butyl)amino]-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O7S/c1-2-27-17(22)9-6-10-21-15-11-13(19(23)24)12-16(29(20,25)26)18(15)28-14-7-4-3-5-8-14/h3-5,7-8,11-12,21H,2,6,9-10H2,1H3,(H,23,24)(H2,20,25,26)