3-(azepan-1-ylsulfonyl)-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonyl)-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-5-fluoro-4-methyl-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-5-fluoro-4-methylbenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-5-fluoro-4-methyl-benzoic acid Formula: C14H18FNO4S MolecularWeight: 315.360423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)N2CCCCCC2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)N2CCCCCC2)C(=O)O)F

InChI

InChI=1S/C14H18FNO4S/c1-10-12(15)8-11(14(17)18)9-13(10)21(19,20)16-6-4-2-3-5-7-16/h8-9H,2-7H2,1H3,(H,17,18)