2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-yl-furan-3-one

Systemtic Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-yl-furan-3-one Openeye Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-(4-pyridyl)furan-3-one CAS Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-yl-3-furanone IUPAC Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-ylfuran-3-one Traditional Name: 5-(4-mesylphenyl)-2,2-dimethyl-4-(4-pyridyl)furan-3-one Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C

Isomeric SMILES

CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C

InChI

InChI=1S/C18H17NO4S/c1-18(2)17(20)15(12-8-10-19-11-9-12)16(23-18)13-4-6-14(7-5-13)24(3,21)22/h4-11H,1-3H3