N-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanamide

Systemtic Name: N-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanamide Openeye Name: N-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]acetamide CAS Name: N-[3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenoxy]phenyl]acetamide IUPAC Name: N-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenoxy]phenyl]acetamide Traditional Name: N-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]acetamide Formula: C19H23N4O6S+ MolecularWeight: 435.47412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O6S/c1-14(24)20-15-4-3-5-16(12-15)29-19-7-6-17(13-18(19)23(25)26)30(27,28)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)/p+1