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

Systemtic Name: 3-(4-azanyl-3-chloranyl-4-oxidanylidene-butan-2-yl)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(3-amino-2-chloro-1-methyl-3-oxo-propyl)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-(4-amino-3-chloro-4-oxobutan-2-yl)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(4-amino-3-chloro-4-oxobutan-2-yl)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-(3-amino-2-chloro-3-keto-1-methyl-propyl)-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C17H17ClN2O6S MolecularWeight: 412.84468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O6S/c1-9(14(18)16(19)21)12-7-10(17(22)23)8-13(27(20,24)25)15(12)26-11-5-3-2-4-6-11/h2-9,14H,1H3,(H2,19,21)(H,22,23)(H2,20,24,25)