3-chloranyl-4-methyl-5-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-[3-(2-oxo-1-azepanyl)propyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzenesulfonamide Traditional Name: 3-chloro-N-[3-(2-ketoazepan-1-yl)propyl]-4-methyl-5-nitro-benzenesulfonamide Formula: C16H22ClN3O5S MolecularWeight: 403.88098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCN2CCCCCC2=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCN2CCCCCC2=O)Cl

InChI

InChI=1S/C16H22ClN3O5S/c1-12-14(17)10-13(11-15(12)20(22)23)26(24,25)18-7-5-9-19-8-4-2-3-6-16(19)21/h10-11,18H,2-9H2,1H3