N-(4-butylphenyl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[4-methyl-3-(1-methylsulfonyl-3-piperidyl)-5-oxo-1,2,4-triazol-1-yl]acetamide CAS Name: N-(4-butylphenyl)-2-[4-methyl-3-(1-methylsulfonyl-3-piperidinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(4-butylphenyl)-2-[4-methyl-3-(1-methylsulfonylpiperidin-3-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide Traditional Name: N-(4-butylphenyl)-2-[5-keto-3-(1-mesyl-3-piperidyl)-4-methyl-1,2,4-triazol-1-yl]acetamide Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCCN(C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H31N5O4S/c1-4-5-7-16-9-11-18(12-10-16)22-19(27)15-26-21(28)24(2)20(23-26)17-8-6-13-25(14-17)31(3,29)30/h9-12,17H,4-8,13-15H2,1-3H3,(H,22,27)