2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]quinoline-4-carboxamide Openeye Name: 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]quinoline-4-carboxamide CAS Name: 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]quinoline-4-carboxamide Traditional Name: 2-cyclopropyl-N-[[(2R)-7-(4-mesylphenyl)coumaran-2-yl]methyl]cinchoninamide Formula: C29H26N2O4S MolecularWeight: 498.59274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)C4=CC(=NC5=CC=CC=C54)C6CC6

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C3C(=CC=C2)C[C@@H](O3)CNC(=O)C4=CC(=NC5=CC=CC=C54)C6CC6

InChI

InChI=1S/C29H26N2O4S/c1-36(33,34)22-13-11-18(12-14-22)23-7-4-5-20-15-21(35-28(20)23)17-30-29(32)25-16-27(19-9-10-19)31-26-8-3-2-6-24(25)26/h2-8,11-14,16,19,21H,9-10,15,17H2,1H3,(H,30,32)/t21-/m1/s1