N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-[(3-methylphenyl)methyl]benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-[(3-methylphenyl)methyl]benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-chloro-N-(m-tolylmethyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-chloro-N-[(3-methylphenyl)methyl]benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-chloro-N-[(3-methylphenyl)methyl]benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-chloro-N-(3-methylbenzyl)benzenesulfonamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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