4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-(2-phenoxyethyl)-1,2,4-triazol-3-one

Systemtic Name: 4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-(2-phenoxyethyl)-1,2,4-triazol-3-one Openeye Name: 4-methyl-5-(1-methylsulfonyl-3-piperidyl)-2-(2-phenoxyethyl)-1,2,4-triazol-3-one CAS Name: 4-methyl-5-(1-methylsulfonyl-3-piperidinyl)-2-(2-phenoxyethyl)-1,2,4-triazol-3-one IUPAC Name: 4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-(2-phenoxyethyl)-1,2,4-triazol-3-one Traditional Name: 5-(1-mesyl-3-piperidyl)-4-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CCOC2=CC=CC=C2)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CCOC2=CC=CC=C2)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C17H24N4O4S/c1-19-16(14-7-6-10-20(13-14)26(2,23)24)18-21(17(19)22)11-12-25-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3