[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methanone CAS Name: [5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methanone Formula: C20H27ClN4O3S MolecularWeight: 438.97138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Cl)CC(C)C

InChI

InChI=1S/C20H27ClN4O3S/c1-15(2)13-25-19(21)18(16(3)22-25)20(26)23-9-11-24(12-10-23)29(27,28)14-17-7-5-4-6-8-17/h4-8,15H,9-14H2,1-3H3