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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-N-(4-ethoxyphenyl)benzenesulfonamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3-chloro-N-(4-ethoxyphenyl)benzenesulfonamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-3-chloro-N-(4-ethoxyphenyl)benzenesulfonamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-3-chloro-N-(4-ethoxyphenyl)benzenesulfonamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-3-chloro-N-p-phenetyl-benzenesulfonamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H27ClN2O5S/c1-2-29-18-9-7-17(8-10-18)24-31(27,28)19-11-12-21(20(23)15-19)30-16-22(26)25-13-5-3-4-6-14-25/h7-12,15,24H,2-6,13-14,16H2,1H3