(3R,4R)-4-(1H-imidazol-2-ylsulfonyl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4R)-4-(1H-imidazol-2-ylsulfonyl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4R)-3-hydroxy-4-(1H-imidazol-2-ylsulfonyl)-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3R,4R)-3-hydroxy-4-(1H-imidazol-2-ylsulfonyl)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4R)-3-hydroxy-4-(1H-imidazol-2-ylsulfonyl)-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4R)-3-hydroxy-4-(1H-imidazol-2-ylsulfonyl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)S(=O)(=O)C3=NC=CN3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)S(=O)(=O)C3=NC=CN3)O)C

InChI

InChI=1S/C15H15N3O4S/c1-15(2)13(19)12(23(20,21)14-17-5-6-18-14)10-7-9(8-16)3-4-11(10)22-15/h3-7,12-13,19H,1-2H3,(H,17,18)/t12-,13+/m1/s1