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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzenesulfonamide Formula: C17H21N4O4S+ MolecularWeight: 377.43804

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-19-10-12-20(13-11-19)17-5-3-2-4-16(17)18-26(24,25)15-8-6-14(7-9-15)21(22)23/h2-9,18H,10-13H2,1H3/p+1