1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazine CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine Traditional Name: 1-benzylsulfonyl-4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazine Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4O2S/c1-18-21(22(23)27(24-18)20-10-6-3-7-11-20)16-25-12-14-26(15-13-25)30(28,29)17-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3