N-[(3R,4S)-2,2-dimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]-N-methyl-methanesulfonamide

Systemtic Name: N-[(3R,4S)-2,2-dimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]-N-methyl-methanesulfonamide Openeye Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]-N-methyl-methanesulfonamide CAS Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-7-yl]-N-methylmethanesulfonamide IUPAC Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]-N-methylmethanesulfonamide Traditional Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]-N-methyl-methanesulfonamide Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C=C2)N(C)S(=O)(=O)C)NCCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=C(C=C2)N(C)S(=O)(=O)C)NCCC3=CC=CC=C3)O)C

InChI

InChI=1S/C21H28N2O4S/c1-21(2)20(24)19(22-13-12-15-8-6-5-7-9-15)17-11-10-16(14-18(17)27-21)23(3)28(4,25)26/h5-11,14,19-20,22,24H,12-13H2,1-4H3/t19-,20+/m0/s1