N-[(3R,4S)-6-methoxy-2,2-dimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]methanesulfonamide

Systemtic Name: N-[(3R,4S)-6-methoxy-2,2-dimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]methanesulfonamide Openeye Name: N-[(3R,4S)-3-hydroxy-6-methoxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]methanesulfonamide CAS Name: N-[(3R,4S)-3-hydroxy-6-methoxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-7-yl]methanesulfonamide IUPAC Name: N-[(3R,4S)-3-hydroxy-6-methoxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]methanesulfonamide Traditional Name: N-[(3R,4S)-3-hydroxy-6-methoxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]methanesulfonamide Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=C(C=C2O1)NS(=O)(=O)C)OC)NCCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=CC(=C(C=C2O1)NS(=O)(=O)C)OC)NCCC3=CC=CC=C3)O)C

InChI

InChI=1S/C21H28N2O5S/c1-21(2)20(24)19(22-11-10-14-8-6-5-7-9-14)15-12-18(27-3)16(13-17(15)28-21)23-29(4,25)26/h5-9,12-13,19-20,22-24H,10-11H2,1-4H3/t19-,20+/m0/s1