N-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)-3-oxo-propyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-(1-azepanyl)-3-oxopropyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)-3-oxopropyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)-3-keto-propyl]-2-nitro-benzenesulfonamide Formula: C15H21N3O5S MolecularWeight: 355.40934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5S/c19-15(17-11-5-1-2-6-12-17)9-10-16-24(22,23)14-8-4-3-7-13(14)18(20)21/h3-4,7-8,16H,1-2,5-6,9-12H2