1-(1H-imidazol-2-yl)-3,3-dimethyl-1-[4-(phenylsulfonyl)phenoxy]butan-2-one

Systemtic Name: 1-(1H-imidazol-2-yl)-3,3-dimethyl-1-[4-(phenylsulfonyl)phenoxy]butan-2-one Openeye Name: 1-[4-(benzenesulfonyl)phenoxy]-1-(1H-imidazol-2-yl)-3,3-dimethyl-butan-2-one CAS Name: 1-[4-(benzenesulfonyl)phenoxy]-1-(1H-imidazol-2-yl)-3,3-dimethyl-2-butanone IUPAC Name: 1-[4-(benzenesulfonyl)phenoxy]-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-one Traditional Name: 1-(4-besylphenoxy)-1-(1H-imidazol-2-yl)-3,3-dimethyl-butan-2-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C1=NC=CN1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)C(C1=NC=CN1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-21(2,3)19(24)18(20-22-13-14-23-20)27-15-9-11-17(12-10-15)28(25,26)16-7-5-4-6-8-16/h4-14,18H,1-3H3,(H,22,23)