6-[(4-chlorophenyl)-oxidanyl-methyl]-1-methylsulfonyl-3-propyl-4-pyridin-2-yl-3-(1,2,4-triazol-4-yl)piperazin-2-one

Systemtic Name: 6-[(4-chlorophenyl)-oxidanyl-methyl]-1-methylsulfonyl-3-propyl-4-pyridin-2-yl-3-(1,2,4-triazol-4-yl)piperazin-2-one Openeye Name: 6-[(4-chlorophenyl)-hydroxy-methyl]-1-methylsulfonyl-3-propyl-4-(2-pyridyl)-3-(1,2,4-triazol-4-yl)piperazin-2-one CAS Name: 6-[(4-chlorophenyl)-hydroxymethyl]-1-methylsulfonyl-3-propyl-4-(2-pyridinyl)-3-(1,2,4-triazol-4-yl)-2-piperazinone IUPAC Name: 6-[(4-chlorophenyl)-hydroxymethyl]-1-methylsulfonyl-3-propyl-4-pyridin-2-yl-3-(1,2,4-triazol-4-yl)piperazin-2-one Traditional Name: 6-[(4-chlorophenyl)-hydroxy-methyl]-1-mesyl-3-propyl-4-(2-pyridyl)-3-(1,2,4-triazol-4-yl)piperazin-2-one Formula: C22H25ClN6O4S MolecularWeight: 504.9897

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)N(C(CN1C2=CC=CC=N2)C(C3=CC=C(C=C3)Cl)O)S(=O)(=O)C)N4C=NN=C4

Isomeric SMILES

CCCC1(C(=O)N(C(CN1C2=CC=CC=N2)C(C3=CC=C(C=C3)Cl)O)S(=O)(=O)C)N4C=NN=C4

InChI

InChI=1S/C22H25ClN6O4S/c1-3-11-22(27-14-25-26-15-27)21(31)29(34(2,32)33)18(13-28(22)19-6-4-5-12-24-19)20(30)16-7-9-17(23)10-8-16/h4-10,12,14-15,18,20,30H,3,11,13H2,1-2H3