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

Systemtic Name: 3-(3-azanyl-2-chloranyl-3-oxidanylidene-propyl)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(3-amino-2-chloro-3-oxo-propyl)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-(3-amino-2-chloro-3-oxopropyl)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(3-amino-2-chloro-3-oxopropyl)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-(3-amino-2-chloro-3-keto-propyl)-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C16H15ClN2O6S MolecularWeight: 398.8181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)CC(C(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)CC(C(=O)N)Cl

InChI

InChI=1S/C16H15ClN2O6S/c17-12(15(18)20)7-9-6-10(16(21)22)8-13(26(19,23)24)14(9)25-11-4-2-1-3-5-11/h1-6,8,12H,7H2,(H2,18,20)(H,21,22)(H2,19,23,24)