4-[2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)chromen-6-yl]sulfonylcyclohexa-2,4-diene-1-carbonitrile

Systemtic Name: 4-[2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)chromen-6-yl]sulfonylcyclohexa-2,4-diene-1-carbonitrile Openeye Name: 4-[3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromen-6-yl]sulfonylcyclohexa-2,4-diene-1-carbonitrile CAS Name: 4-[[3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-1-benzopyran-6-yl]sulfonyl]-1-cyclohexa-2,4-dienecarbonitrile IUPAC Name: 4-[3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromen-6-yl]sulfonylcyclohexa-2,4-diene-1-carbonitrile Traditional Name: 4-[3-hydroxy-4-(2-ketopyrrolidino)-2,2-dimethyl-chromen-6-yl]sulfonylcyclohexa-2,4-diene-1-carbonitrile Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CCC(C=C3)C#N)N4CCCC4=O)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CCC(C=C3)C#N)N4CCCC4=O)O)C

InChI

InChI=1S/C22H22N2O5S/c1-22(2)21(26)20(24-11-3-4-19(24)25)17-12-16(9-10-18(17)29-22)30(27,28)15-7-5-14(13-23)6-8-15/h5,7-10,12,14,26H,3-4,6,11H2,1-2H3