4-methyl-2-[(4-methylsulfonylphenyl)methyl]-7-(3-pyridin-3-ylprop-1-ynyl)-1,4-benzothiazin-3-one

Systemtic Name: 4-methyl-2-[(4-methylsulfonylphenyl)methyl]-7-(3-pyridin-3-ylprop-1-ynyl)-1,4-benzothiazin-3-one Openeye Name: 4-methyl-2-[(4-methylsulfonylphenyl)methyl]-7-[3-(3-pyridyl)prop-1-ynyl]-1,4-benzothiazin-3-one CAS Name: 4-methyl-2-[(4-methylsulfonylphenyl)methyl]-7-[3-(3-pyridinyl)prop-1-ynyl]-1,4-benzothiazin-3-one IUPAC Name: 4-methyl-2-[(4-methylsulfonylphenyl)methyl]-7-(3-pyridin-3-ylprop-1-ynyl)-1,4-benzothiazin-3-one Traditional Name: 2-(4-mesylbenzyl)-4-methyl-7-[3-(3-pyridyl)prop-1-ynyl]-1,4-benzothiazin-3-one Formula: C25H22N2O3S2 MolecularWeight: 462.58378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CCC3=CN=CC=C3)SC(C1=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#CCC3=CN=CC=C3)SC(C1=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H22N2O3S2/c1-27-22-13-10-18(5-3-6-20-7-4-14-26-17-20)15-23(22)31-24(25(27)28)16-19-8-11-21(12-9-19)32(2,29)30/h4,7-15,17,24H,6,16H2,1-2H3