N-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-(4-methoxyphenyl)-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: (4-methoxyphenyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C18H23N4O5S+ MolecularWeight: 407.46402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-20-9-11-21(12-10-20)28(25,26)16-7-8-17(18(13-16)22(23)24)19-14-3-5-15(27-2)6-4-14/h3-8,13,19H,9-12H2,1-2H3/p+1