2-[4-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]pyrazol-1-yl]ethanamide

Systemtic Name: 2-[4-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]pyrazol-1-yl]ethanamide Openeye Name: 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-anilino]pyrazol-1-yl]acetamide CAS Name: 2-[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroanilino]-1-pyrazolyl]acetamide IUPAC Name: 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroanilino]pyrazol-1-yl]acetamide Traditional Name: 2-[4-[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]pyrazol-1-yl]acetamide Formula: C16H21N7O5S MolecularWeight: 423.44684

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CN(N=C3)CC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CN(N=C3)CC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O5S/c1-20-4-6-22(7-5-20)29(27,28)13-2-3-14(15(8-13)23(25)26)19-12-9-18-21(10-12)11-16(17)24/h2-3,8-10,19H,4-7,11H2,1H3,(H2,17,24)