N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amine Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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