N-methylsulfonyl-3-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzamide

Systemtic Name: N-methylsulfonyl-3-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzamide Openeye Name: 3-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-N-methylsulfonyl-benzamide CAS Name: 3-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-N-methylsulfonylbenzamide IUPAC Name: 3-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-N-methylsulfonylbenzamide Traditional Name: 3-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-N-mesyl-benzamide Formula: C25H27N3O5S MolecularWeight: 481.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

Isomeric SMILES

CS(=O)(=O)NC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

InChI

InChI=1S/C25H27N3O5S/c1-34(31,32)28-25(30)20-5-2-4-17(13-20)18-8-10-24-19(12-18)7-9-22(33-24)15-27-16-23(29)21-6-3-11-26-14-21/h2-6,8,10-14,22-23,27,29H,7,9,15-16H2,1H3,(H,28,30)