3-azanyl-5-[3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]propyl]-1H-pyrazole-4-carbonitrile Formula: C18H25N8O4S+ MolecularWeight: 449.5073

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H24N8O4S/c1-24-7-9-25(10-8-24)31(29,30)13-4-5-16(17(11-13)26(27)28)21-6-2-3-15-14(12-19)18(20)23-22-15/h4-5,11,21H,2-3,6-10H2,1H3,(H3,20,22,23)/p+1