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

Systemtic Name: N-(3-methoxyphenyl)-2-[3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[3-(1-methylsulfonyl-4-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]acetamide CAS Name: N-(3-methoxyphenyl)-2-[3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[5-keto-3-(1-mesyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]-N-(3-methoxyphenyl)acetamide Formula: C21H25N5O5S2 MolecularWeight: 491.5837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C21H25N5O5S2/c1-31-17-6-3-5-16(13-17)22-18(27)14-25-21(28)26(19-7-4-12-32-19)20(23-25)15-8-10-24(11-9-15)33(2,29)30/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,22,27)