N-(cyanomethyl)-2,2-dimethyl-3-oxidanyl-N-phenethyl-3,4-dihydrochromene-8-sulfonamide

Systemtic Name: N-(cyanomethyl)-2,2-dimethyl-3-oxidanyl-N-phenethyl-3,4-dihydrochromene-8-sulfonamide Openeye Name: N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-N-phenethyl-chromane-8-sulfonamide CAS Name: N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-N-phenethyl-3,4-dihydro-2H-1-benzopyran-8-sulfonamide IUPAC Name: N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-N-phenethyl-3,4-dihydrochromene-8-sulfonamide Traditional Name: N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-N-phenethyl-chroman-8-sulfonamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(O1)C(=CC=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC#N)O)C

Isomeric SMILES

CC1(C(CC2=C(O1)C(=CC=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC#N)O)C

InChI

InChI=1S/C21H24N2O4S/c1-21(2)19(24)15-17-9-6-10-18(20(17)27-21)28(25,26)23(14-12-22)13-11-16-7-4-3-5-8-16/h3-10,19,24H,11,13-15H2,1-2H3