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

Systemtic Name: N-(cyanomethyl)-2,2-dimethyl-3-oxidanyl-N-(3-phenylpropyl)-3,4-dihydrochromene-8-sulfonamide Openeye Name: N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-N-(3-phenylpropyl)chromane-8-sulfonamide CAS Name: N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-N-(3-phenylpropyl)-3,4-dihydro-2H-1-benzopyran-8-sulfonamide IUPAC Name: N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-N-(3-phenylpropyl)-3,4-dihydrochromene-8-sulfonamide Traditional Name: N-(cyanomethyl)-3-hydroxy-2,2-dimethyl-N-(3-phenylpropyl)chroman-8-sulfonamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(O1)C(=CC=C2)S(=O)(=O)N(CCCC3=CC=CC=C3)CC#N)O)C

Isomeric SMILES

CC1(C(CC2=C(O1)C(=CC=C2)S(=O)(=O)N(CCCC3=CC=CC=C3)CC#N)O)C

InChI

InChI=1S/C22H26N2O4S/c1-22(2)20(25)16-18-11-6-12-19(21(18)28-22)29(26,27)24(15-13-23)14-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,20,25H,7,10,14-16H2,1-2H3