4-[[(3R,4S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[(3R,4S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]sulfonyl]benzenecarbonitrile Openeye Name: 4-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chroman-6-yl]sulfonylbenzonitrile CAS Name: 4-[[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-yl]sulfonyl]benzonitrile IUPAC Name: 4-[[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]sulfonyl]benzonitrile Traditional Name: 4-[(3R,4S)-3-hydroxy-4-(2-ketopyrrolidino)-2,2-dimethyl-chroman-6-yl]sulfonylbenzonitrile Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=C(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/h5-10,12,20-21,26H,3-4,11H2,1-2H3/t20-,21+/m0/s1