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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)Cl

Isomeric SMILES

CCN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)Cl

InChI

InChI=1S/C18H27ClN2O4S/c1-3-21(14-18(22)20-11-7-5-6-8-12-20)26(23,24)15-9-10-17(25-4-2)16(19)13-15/h9-10,13H,3-8,11-12,14H2,1-2H3