3-(4-azanyl-4-oxidanylidene-butan-2-yl)-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(4-azanyl-4-oxidanylidene-butan-2-yl)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(3-amino-1-methyl-3-oxo-propyl)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-(4-amino-4-oxobutan-2-yl)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(4-amino-4-oxobutan-2-yl)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-(3-amino-3-keto-1-methyl-propyl)-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-10(7-15(18)20)13-8-11(17(21)22)9-14(26(19,23)24)16(13)25-12-5-3-2-4-6-12/h2-6,8-10H,7H2,1H3,(H2,18,20)(H,21,22)(H2,19,23,24)