N-[(3R,4S)-2,2,8-trimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]methanesulfonamide

Systemtic Name: N-[(3R,4S)-2,2,8-trimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]methanesulfonamide Openeye Name: N-[(3R,4S)-3-hydroxy-2,2,8-trimethyl-4-(phenethylamino)chroman-7-yl]methanesulfonamide CAS Name: N-[(3R,4S)-3-hydroxy-2,2,8-trimethyl-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-7-yl]methanesulfonamide IUPAC Name: N-[(3R,4S)-3-hydroxy-2,2,8-trimethyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]methanesulfonamide Traditional Name: N-[(3R,4S)-3-hydroxy-2,2,8-trimethyl-4-(phenethylamino)chroman-7-yl]methanesulfonamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(C(C2NCCC3=CC=CC=C3)O)(C)C)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC2=C1OC([C@@H]([C@H]2NCCC3=CC=CC=C3)O)(C)C)NS(=O)(=O)C

InChI

InChI=1S/C21H28N2O4S/c1-14-17(23-28(4,25)26)11-10-16-18(20(24)21(2,3)27-19(14)16)22-13-12-15-8-6-5-7-9-15/h5-11,18,20,22-24H,12-13H2,1-4H3/t18-,20+/m0/s1