N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-nitro-N-phenyl-benzenesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-nitro-N-phenyl-benzenesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-2-nitro-N-phenyl-benzenesulfonamide Formula: C20H25N4O5S+ MolecularWeight: 433.5013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-2-21-12-14-22(15-13-21)20(25)16-23(17-8-4-3-5-9-17)30(28,29)19-11-7-6-10-18(19)24(26)27/h3-11H,2,12-16H2,1H3/p+1