4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C22H36N5O5S+ MolecularWeight: 482.61674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H35N5O5S/c1-3-26(4-2)33(31,32)19-9-10-20(21(17-19)27(29)30)24-15-13-23(14-16-24)18-22(28)25-11-7-5-6-8-12-25/h9-10,17H,3-8,11-16,18H2,1-2H3/p+1