6-(2-imidazol-1-yl-1-pyridin-3-yl-ethoxy)-5-(propylsulfonylmethyl)-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 6-(2-imidazol-1-yl-1-pyridin-3-yl-ethoxy)-5-(propylsulfonylmethyl)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-[2-imidazol-1-yl-1-(3-pyridyl)ethoxy]-5-(propylsulfonylmethyl)tetralin-1-one CAS Name: 6-[2-(1-imidazolyl)-1-(3-pyridinyl)ethoxy]-5-(propylsulfonylmethyl)-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-(propylsulfonylmethyl)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-[2-imidazol-1-yl-1-(3-pyridyl)ethoxy]-5-(propylsulfonylmethyl)tetralin-1-one Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CC1=C(C=CC2=C1CCCC2=O)OC(CN3C=CN=C3)C4=CN=CC=C4

Isomeric SMILES

CCCS(=O)(=O)CC1=C(C=CC2=C1CCCC2=O)OC(CN3C=CN=C3)C4=CN=CC=C4

InChI

InChI=1S/C24H27N3O4S/c1-2-13-32(29,30)16-21-19-6-3-7-22(28)20(19)8-9-23(21)31-24(15-27-12-11-26-17-27)18-5-4-10-25-14-18/h4-5,8-12,14,17,24H,2-3,6-7,13,15-16H2,1H3