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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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)NC3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c1-3-21-10-12-22(13-11-21)18-9-8-17(14-19(18)23(24)25)28(26,27)20-16-6-4-15(2)5-7-16/h8-9,14-16,20H,3-7,10-13H2,1-2H3/p+1