2-fluoranyl-5-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]sulfamoyl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]sulfamoyl]benzoic acid Openeye Name: 2-fluoro-5-[[3-(3-oxopiperazin-1-yl)sulfonylphenyl]sulfamoyl]benzoic acid CAS Name: 2-fluoro-5-[[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-fluoro-5-[[3-(3-oxopiperazin-1-yl)sulfonylphenyl]sulfamoyl]benzoic acid Traditional Name: 2-fluoro-5-[[3-(3-ketopiperazino)sulfonylphenyl]sulfamoyl]benzoic acid Formula: C17H16FN3O7S2 MolecularWeight: 457.453243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C17H16FN3O7S2/c18-15-5-4-12(9-14(15)17(23)24)29(25,26)20-11-2-1-3-13(8-11)30(27,28)21-7-6-19-16(22)10-21/h1-5,8-9,20H,6-7,10H2,(H,19,22)(H,23,24)