N-tert-butyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Formula: C15H25N4O4S+ MolecularWeight: 357.4484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H24N4O4S/c1-15(2,3)16-24(22,23)12-5-6-13(14(11-12)19(20)21)18-9-7-17(4)8-10-18/h5-6,11,16H,7-10H2,1-4H3/p+1