1-[3-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(5-chloro-1,3-dimethyl-pyrazole-4-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O4S/c1-12-16(17(19)21(3)20-12)18(25)22-7-9-23(10-8-22)28(26,27)15-6-4-5-14(11-15)13(2)24/h4-6,11H,7-10H2,1-3H3