1-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-pyridin-3-ylsulfonyl-piperazine

Systemtic Name: 1-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-pyridin-3-ylsulfonyl-piperazine Openeye Name: 1-[(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyl]-4-(3-pyridylsulfonyl)piperazine CAS Name: 1-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(3-pyridinylsulfonyl)piperazine IUPAC Name: 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-pyridin-3-ylsulfonylpiperazine Traditional Name: 1-[(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methyl]-4-(3-pyridylsulfonyl)piperazine Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CN2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H24ClN5O2S/c1-17-20(21(22)27(24-17)15-18-6-3-2-4-7-18)16-25-10-12-26(13-11-25)30(28,29)19-8-5-9-23-14-19/h2-9,14H,10-13,15-16H2,1H3