2-[[(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-N-quinolin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide

Systemtic Name: 2-[[(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-N-quinolin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide Openeye Name: 2-[[(2-hydroxy-2-phenyl-ethyl)amino]methyl]-N-(3-quinolyl)chromane-6-sulfonamide CAS Name: 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]-N-(3-quinolinyl)-3,4-dihydro-2H-1-benzopyran-6-sulfonamide IUPAC Name: 2-[[(2-hydroxy-2-phenylethyl)amino]methyl]-N-quinolin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide Traditional Name: 2-[[(2-hydroxy-2-phenyl-ethyl)amino]methyl]-N-(3-quinolyl)chroman-6-sulfonamide Formula: C27H27N3O4S MolecularWeight: 489.58598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)NC3=CC4=CC=CC=C4N=C3)OC1CNCC(C5=CC=CC=C5)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)NC3=CC4=CC=CC=C4N=C3)OC1CNCC(C5=CC=CC=C5)O

InChI

InChI=1S/C27H27N3O4S/c31-26(19-6-2-1-3-7-19)18-28-17-23-11-10-21-15-24(12-13-27(21)34-23)35(32,33)30-22-14-20-8-4-5-9-25(20)29-16-22/h1-9,12-16,23,26,28,30-31H,10-11,17-18H2