4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-N-(2-methylpropyl)benzenesulfonamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3-chloro-N-isobutyl-benzenesulfonamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-3-chloro-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-3-chloro-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-3-chloro-N-isobutyl-benzenesulfonamide Formula: C18H27ClN2O4S MolecularWeight: 402.93598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCCCC2)Cl

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C18H27ClN2O4S/c1-14(2)12-20-26(23,24)15-7-8-17(16(19)11-15)25-13-18(22)21-9-5-3-4-6-10-21/h7-8,11,14,20H,3-6,9-10,12-13H2,1-2H3