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

Systemtic Name: N-(cyanomethyl)-2,2-dimethyl-3-oxidanyl-N-(phenylmethyl)-3,4-dihydrochromene-8-sulfonamide Openeye Name: N-benzyl-N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-chromane-8-sulfonamide CAS Name: N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-N-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-8-sulfonamide IUPAC Name: N-benzyl-N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide Traditional Name: N-benzyl-N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-chroman-8-sulfonamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(O1)C(=CC=C2)S(=O)(=O)N(CC#N)CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(CC2=C(O1)C(=CC=C2)S(=O)(=O)N(CC#N)CC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H22N2O4S/c1-20(2)18(23)13-16-9-6-10-17(19(16)26-20)27(24,25)22(12-11-21)14-15-7-4-3-5-8-15/h3-10,18,23H,12-14H2,1-2H3