N-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide

Systemtic Name: N-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-N-(4-phenoxyphenyl)methanesulfonamide CAS Name: N-[1-(1-azepanyl)-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide IUPAC Name: N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-N-(4-phenoxyphenyl)methanesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)N1CCCCCC1)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

InChI

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