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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-[(2-methylphenyl)methyl]benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-chloro-N-(o-tolylmethyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-chloro-N-(2-methylbenzyl)benzenesulfonamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1CN(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O3S/c1-18-8-4-5-9-19(18)16-25(17-22(26)24-14-6-2-3-7-15-24)29(27,28)21-12-10-20(23)11-13-21/h4-5,8-13H,2-3,6-7,14-17H2,1H3