6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-(propan-2-ylsulfonylmethyl)-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-(propan-2-ylsulfonylmethyl)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-(isopropylsulfonylmethyl)tetralin-1-one CAS Name: 6-[2-(1-imidazolyl)-1-phenylethoxy]-5-(propan-2-ylsulfonylmethyl)-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-(2-imidazol-1-yl-1-phenylethoxy)-5-(propan-2-ylsulfonylmethyl)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-(isopropylsulfonylmethyl)tetralin-1-one Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S/c1-18(2)32(29,30)16-22-20-9-6-10-23(28)21(20)11-12-24(22)31-25(15-27-14-13-26-17-27)19-7-4-3-5-8-19/h3-5,7-8,11-14,17-18,25H,6,9-10,15-16H2,1-2H3