4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C18H23N4O5S+ MolecularWeight: 407.46402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

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