6-(1-imidazol-1-yl-3-methyl-butan-2-yl)oxy-5-(phenylsulfonylmethyl)-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 6-(1-imidazol-1-yl-3-methyl-butan-2-yl)oxy-5-(phenylsulfonylmethyl)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 5-(benzenesulfonylmethyl)-6-[1-(imidazol-1-ylmethyl)-2-methyl-propoxy]tetralin-1-one CAS Name: 5-(benzenesulfonylmethyl)-6-[1-(1-imidazolyl)-3-methylbutan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 5-(benzenesulfonylmethyl)-6-(1-imidazol-1-yl-3-methylbutan-2-yl)oxy-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 5-(besylmethyl)-6-[1-(imidazol-1-ylmethyl)-2-methyl-propoxy]tetralin-1-one Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1C=CN=C1)OC2=C(C3=C(C=C2)C(=O)CCC3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CN1C=CN=C1)OC2=C(C3=C(C=C2)C(=O)CCC3)CS(=O)(=O)C4=CC=CC=C4

InChI

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