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

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)phenyl]-3-fluoranyl-4-methyl-benzenesulfonamide Openeye Name: N-[3-(azepane-1-carbonyl)phenyl]-3-fluoro-4-methyl-benzenesulfonamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]phenyl]-3-fluoro-4-methylbenzenesulfonamide IUPAC Name: N-[3-(azepane-1-carbonyl)phenyl]-3-fluoro-4-methylbenzenesulfonamide Traditional Name: N-[3-(azepane-1-carbonyl)phenyl]-3-fluoro-4-methyl-benzenesulfonamide Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCCCC3)F

InChI

InChI=1S/C20H23FN2O3S/c1-15-9-10-18(14-19(15)21)27(25,26)22-17-8-6-7-16(13-17)20(24)23-11-4-2-3-5-12-23/h6-10,13-14,22H,2-5,11-12H2,1H3