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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-bromanyl-N-[(4-methylphenyl)methyl]benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-bromo-N-(p-tolylmethyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-bromo-N-[(4-methylphenyl)methyl]benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-bromo-N-[(4-methylphenyl)methyl]benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-bromo-N-(4-methylbenzyl)benzenesulfonamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN2O3S/c1-18-6-8-19(9-7-18)16-25(17-22(26)24-14-4-2-3-5-15-24)29(27,28)21-12-10-20(23)11-13-21/h6-13H,2-5,14-17H2,1H3