1-(5-chloranyl-2-methyl-phenyl)-4-[3-methyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-[3-methyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-piperazine Openeye Name: 1-(1-benzyl-3-methyl-pyrazol-4-yl)sulfonyl-4-(5-chloro-2-methyl-phenyl)piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-[[3-methyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]piperazine IUPAC Name: 1-(1-benzyl-3-methylpyrazol-4-yl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine Traditional Name: 1-(1-benzyl-3-methyl-pyrazol-4-yl)sulfonyl-4-(5-chloro-2-methyl-phenyl)piperazine Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CN(N=C3C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CN(N=C3C)CC4=CC=CC=C4

InChI

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