N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-nitrophenyl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-nitrophenyl)methanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-nitrophenyl)methanesulfonamide Formula: C15H21N3O5S MolecularWeight: 355.40934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5S/c1-24(22,23)17(13-7-6-8-14(11-13)18(20)21)12-15(19)16-9-4-2-3-5-10-16/h6-8,11H,2-5,9-10,12H2,1H3