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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC2=C(C=C1)C(C(C(O2)(C)C)O)NCCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)[C@@H]([C@H](C(O2)(C)C)O)NCCC3=CC=CC=C3

InChI

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