2-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C17H18ClN5O3S MolecularWeight: 407.87452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)Cl)C

InChI

InChI=1S/C17H18ClN5O3S/c1-12-15(16(18)21(2)20-12)17(24)22-7-9-23(10-8-22)27(25,26)14-6-4-3-5-13(14)11-19/h3-6H,7-10H2,1-2H3