2-chloranyl-5-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]-4-fluoranyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]-4-fluoranyl-benzoic acid Openeye Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-chloro-4-fluoro-benzoic acid CAS Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-chloro-4-fluorobenzoic acid IUPAC Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-chloro-4-fluorobenzoic acid Traditional Name: 5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-chloro-4-fluoro-benzoic acid Formula: C14H16ClFN2O5S MolecularWeight: 378.803643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)F

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)F

InChI

InChI=1S/C14H16ClFN2O5S/c1-9(19)17-3-2-4-18(6-5-17)24(22,23)13-7-10(14(20)21)11(15)8-12(13)16/h7-8H,2-6H2,1H3,(H,20,21)