3,5-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1-phenyl-pyrazol-4-amine

Systemtic Name: 3,5-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1-phenyl-pyrazol-4-amine Openeye Name: 3,5-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1-phenyl-pyrazol-4-amine CAS Name: 3,5-dimethyl-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-1-phenyl-4-pyrazolamine IUPAC Name: 3,5-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]-1-phenylpyrazol-4-amine Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C22H27N6O4S+ MolecularWeight: 471.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4S/c1-16-22(17(2)27(24-16)18-7-5-4-6-8-18)23-20-10-9-19(15-21(20)28(29)30)33(31,32)26-13-11-25(3)12-14-26/h4-10,15,23H,11-14H2,1-3H3/p+1