N-(2-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzenesulfonamide Formula: C18H23N4O5S+ MolecularWeight: 407.46402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC

InChI

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