1-[(2S)-4-(4-chloranyl-3-methoxy-phenyl)-2-methyl-piperazin-1-yl]-2-(4-chloranyl-5-methyl-3-methylsulfonyl-pyrazol-1-yl)ethanone

Systemtic Name: 1-[(2S)-4-(4-chloranyl-3-methoxy-phenyl)-2-methyl-piperazin-1-yl]-2-(4-chloranyl-5-methyl-3-methylsulfonyl-pyrazol-1-yl)ethanone Openeye Name: 1-[(2S)-4-(4-chloro-3-methoxy-phenyl)-2-methyl-piperazin-1-yl]-2-(4-chloro-5-methyl-3-methylsulfonyl-pyrazol-1-yl)ethanone CAS Name: 1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methyl-1-piperazinyl]-2-(4-chloro-5-methyl-3-methylsulfonyl-1-pyrazolyl)ethanone IUPAC Name: 1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(4-chloro-5-methyl-3-methylsulfonylpyrazol-1-yl)ethanone Traditional Name: 2-(4-chloro-3-mesyl-5-methyl-pyrazol-1-yl)-1-[(2S)-4-(4-chloro-3-methoxy-phenyl)-2-methyl-piperazino]ethanone Formula: C19H24Cl2N4O4S MolecularWeight: 475.38926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CN2C(=C(C(=N2)S(=O)(=O)C)Cl)C)C3=CC(=C(C=C3)Cl)OC

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)CN2C(=C(C(=N2)S(=O)(=O)C)Cl)C)C3=CC(=C(C=C3)Cl)OC

InChI

InChI=1S/C19H24Cl2N4O4S/c1-12-10-23(14-5-6-15(20)16(9-14)29-3)7-8-24(12)17(26)11-25-13(2)18(21)19(22-25)30(4,27)28/h5-6,9,12H,7-8,10-11H2,1-4H3/t12-/m0/s1