4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[2-(azepan-1-yl)-2-oxo-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C15H22N4O5S MolecularWeight: 370.42398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O5S/c1-16-25(23,24)12-6-7-13(14(10-12)19(21)22)17-11-15(20)18-8-4-2-3-5-9-18/h6-7,10,16-17H,2-5,8-9,11H2,1H3