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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-N-(4-ethanoylphenyl)benzenesulfonamide Openeye Name: N-(4-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-chloro-benzenesulfonamide CAS Name: N-(4-acetylphenyl)-N-[2-(1-azepanyl)-2-oxoethyl]-4-chlorobenzenesulfonamide IUPAC Name: N-(4-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide Traditional Name: N-(4-acetylphenyl)-N-[2-(azepan-1-yl)-2-keto-ethyl]-4-chloro-benzenesulfonamide Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O4S/c1-17(26)18-6-10-20(11-7-18)25(16-22(27)24-14-4-2-3-5-15-24)30(28,29)21-12-8-19(23)9-13-21/h6-13H,2-5,14-16H2,1H3