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

Systemtic Name: 3-azanyl-5-[5-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]pentyl]-1H-pyrazole-4-carbonitrile Formula: C20H29N8O4S+ MolecularWeight: 477.56046

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H28N8O4S/c1-26-9-11-27(12-10-26)33(31,32)15-6-7-18(19(13-15)28(29)30)23-8-4-2-3-5-17-16(14-21)20(22)25-24-17/h6-7,13,23H,2-5,8-12H2,1H3,(H3,22,24,25)/p+1