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

Systemtic Name: 4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-methyl-5-(1-methylsulfonyl-3-piperidyl)-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one CAS Name: 4-methyl-5-(1-methylsulfonyl-3-piperidinyl)-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 4-methyl-5-(1-methylsulfonylpiperidin-3-yl)-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Traditional Name: 5-(1-mesyl-3-piperidyl)-4-methyl-2-(4-nitrobenzyl)-1,2,4-triazol-3-one Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C16H21N5O5S/c1-18-15(13-4-3-9-19(11-13)27(2,25)26)17-20(16(18)22)10-12-5-7-14(8-6-12)21(23)24/h5-8,13H,3-4,9-11H2,1-2H3