3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]-N-(1-oxidanidylpyridin-1-ium-3-yl)benzamide

Systemtic Name: 3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]-N-(1-oxidanidylpyridin-1-ium-3-yl)benzamide Openeye Name: 3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]-N-(1-oxidopyridin-1-ium-3-yl)benzamide CAS Name: 3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]-N-(1-oxido-3-pyridin-1-iumyl)benzamide IUPAC Name: 3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]-N-(1-oxidopyridin-1-ium-3-yl)benzamide Traditional Name: 3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]-N-(1-oxidopyridin-1-ium-3-yl)benzamide Formula: C25H23N3O4S MolecularWeight: 461.53282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(=O)NC4=C[N+](=CC=C4)[O-])S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(=O)NC4=C[N+](=CC=C4)[O-])S(=O)(=O)C

InChI

InChI=1S/C25H23N3O4S/c1-25(2,33(3,31)32)20-14-18-9-5-11-26-23(18)22(15-20)17-7-4-8-19(13-17)24(29)27-21-10-6-12-28(30)16-21/h4-16H,1-3H3,(H,27,29)