N-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C18H21N4O5S+ MolecularWeight: 405.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-20-9-11-21(12-10-20)18(23)14-5-7-15(8-6-14)19-28(26,27)17-4-2-3-16(13-17)22(24)25/h2-8,13,19H,9-12H2,1H3/p+1