4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N-phenethyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c25-22(24-16-6-1-2-7-17-24)18-28-20-10-12-21(13-11-20)29(26,27)23-15-14-19-8-4-3-5-9-19/h3-5,8-13,23H,1-2,6-7,14-18H2