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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-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=C(C=C2)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN2O4S2/c1-15-6-9-17(21-27(23,24)18-10-7-16(20)8-11-18)14-19(15)28(25,26)22-12-4-2-3-5-13-22/h6-11,14,21H,2-5,12-13H2,1H3