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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-2-28-20-12-14-21(15-13-20)29(26,27)24(19-10-6-5-7-11-19)18-22(25)23-16-8-3-4-9-17-23/h5-7,10-15H,2-4,8-9,16-18H2,1H3