1-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanone Openeye Name: 1-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanone CAS Name: 1-[4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenoxy]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenoxy]phenyl]ethanone Traditional Name: 1-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanone Formula: C19H22N3O6S+ MolecularWeight: 420.45948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-14(23)15-3-5-16(6-4-15)28-19-8-7-17(13-18(19)22(24)25)29(26,27)21-11-9-20(2)10-12-21/h3-8,13H,9-12H2,1-2H3/p+1