4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-N-(3,5-dimethylphenyl)benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H28N2O4S/c1-17-13-18(2)15-19(14-17)23-29(26,27)21-9-7-20(8-10-21)28-16-22(25)24-11-5-3-4-6-12-24/h7-10,13-15,23H,3-6,11-12,16H2,1-2H3