N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(2-fluorophenyl)methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(2-fluorophenyl)methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-[(2-fluorophenyl)methyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2-fluorobenzyl)-4-methyl-benzenesulfonamide Formula: C22H27FN2O3S MolecularWeight: 418.524783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2F)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2F)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H27FN2O3S/c1-18-10-12-20(13-11-18)29(27,28)25(16-19-8-4-5-9-21(19)23)17-22(26)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-17H2,1H3