1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-3-(3-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazino]-3-(3-nitropyrazol-1-yl)propan-1-one Formula: C14H19N7O5S MolecularWeight: 397.40956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H19N7O5S/c1-17-11-12(10-15-17)27(25,26)20-8-6-18(7-9-20)14(22)3-5-19-4-2-13(16-19)21(23)24/h2,4,10-11H,3,5-9H2,1H3