4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one

Systemtic Name: 4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one Openeye Name: 4-methyl-5-(1-methylsulfonyl-3-piperidyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one CAS Name: 4-methyl-5-(1-methylsulfonyl-3-piperidinyl)-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1,2,4-triazol-3-one IUPAC Name: 4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one Traditional Name: 2-[2-keto-2-(4-phenylpiperazino)ethyl]-5-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-3-one Formula: C21H30N6O4S MolecularWeight: 462.5657

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C21H30N6O4S/c1-23-20(17-7-6-10-26(15-17)32(2,30)31)22-27(21(23)29)16-19(28)25-13-11-24(12-14-25)18-8-4-3-5-9-18/h3-5,8-9,17H,6-7,10-16H2,1-2H3