N-(2,4-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H24N4O4S/c1-14-4-6-17(15(2)12-14)20-28(26,27)16-5-7-18(19(13-16)23(24)25)22-10-8-21(3)9-11-22/h4-7,12-13,20H,8-11H2,1-3H3/p+1