1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazine

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazine Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)sulfonyl]piperazine IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-(3-chlorobenzyl)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazine Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)N3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)N3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H25ClN4O2S/c1-17-22(18(2)27(24-17)21-9-4-3-5-10-21)30(28,29)26-13-11-25(12-14-26)16-19-7-6-8-20(23)15-19/h3-10,15H,11-14,16H2,1-2H3