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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(4-chlorophenyl)methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-[(4-chlorophenyl)methyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-chlorobenzyl)-4-methyl-benzenesulfonamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H27ClN2O3S/c1-18-6-12-21(13-7-18)29(27,28)25(16-19-8-10-20(23)11-9-19)17-22(26)24-14-4-2-3-5-15-24/h6-13H,2-5,14-17H2,1H3