2,2-dimethyl-4-[2-methylsulfonylethyl(phenyl)amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-4-[2-methylsulfonylethyl(phenyl)amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-dimethyl-4-[N-(2-methylsulfonylethyl)anilino]chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-[N-(2-methylsulfonylethyl)anilino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-[N-(2-methylsulfonylethyl)anilino]-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[N-(2-mesylethyl)anilino]-2,2-dimethyl-chroman-6-carbonitrile Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-21(2)20(24)19(17-13-15(14-22)9-10-18(17)27-21)23(11-12-28(3,25)26)16-7-5-4-6-8-16/h4-10,13,19-20,24H,11-12H2,1-3H3