2-[4-(1-methylpyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1-methylpyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1-methyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1-methylpyrazole-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H17N5O3S/c1-19-12-14(11-18-19)16(22)20-6-8-21(9-7-20)25(23,24)15-5-3-2-4-13(15)10-17/h2-5,11-12H,6-9H2,1H3