N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-fluoro-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-fluorobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-fluorobenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-fluoro-benzenesulfonamide Formula: C19H23FN2O4S2 MolecularWeight: 426.525323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H23FN2O4S2/c1-15-10-11-16(21-27(23,24)18-9-5-4-8-17(18)20)14-19(15)28(25,26)22-12-6-2-3-7-13-22/h4-5,8-11,14,21H,2-3,6-7,12-13H2,1H3