4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-N-phenyl-benzenesulfonamide Formula: C18H23N4O4S+ MolecularWeight: 391.46462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-2-20-10-12-21(13-11-20)17-9-8-16(14-18(17)22(23)24)27(25,26)19-15-6-4-3-5-7-15/h3-9,14,19H,2,10-13H2,1H3/p+1