2-(3,4-dimethyl-3-oxidanyl-2-oxidanylidene-4-pyrrolidin-1-yl-chromen-5-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(3,4-dimethyl-3-oxidanyl-2-oxidanylidene-4-pyrrolidin-1-yl-chromen-5-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(3-hydroxy-3,4-dimethyl-2-oxo-4-pyrrolidin-1-yl-chroman-5-yl)sulfonylbenzonitrile CAS Name: 2-[[3-hydroxy-3,4-dimethyl-2-oxo-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-5-yl]sulfonyl]benzonitrile IUPAC Name: 2-(3-hydroxy-3,4-dimethyl-2-oxo-4-pyrrolidin-1-ylchromen-5-yl)sulfonylbenzonitrile Traditional Name: 2-(3-hydroxy-2-keto-3,4-dimethyl-4-pyrrolidino-chroman-5-yl)sulfonylbenzonitrile Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2S(=O)(=O)C3=CC=CC=C3C#N)OC(=O)C1(C)O)N4CCCC4

Isomeric SMILES

CC1(C2=C(C=CC=C2S(=O)(=O)C3=CC=CC=C3C#N)OC(=O)C1(C)O)N4CCCC4

InChI

InChI=1S/C22H22N2O5S/c1-21(24-12-5-6-13-24)19-16(29-20(25)22(21,2)26)9-7-11-18(19)30(27,28)17-10-4-3-8-15(17)14-23/h3-4,7-11,26H,5-6,12-13H2,1-2H3