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

Systemtic Name: N-[(3R,4S)-6-methoxy-2,2-dimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]-N-methyl-methanesulfonamide Openeye Name: N-[(3R,4S)-3-hydroxy-6-methoxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]-N-methyl-methanesulfonamide CAS Name: N-[(3R,4S)-3-hydroxy-6-methoxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-7-yl]-N-methylmethanesulfonamide IUPAC Name: N-[(3R,4S)-3-hydroxy-6-methoxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]-N-methylmethanesulfonamide Traditional Name: N-[(3R,4S)-3-hydroxy-6-methoxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]-N-methyl-methanesulfonamide Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-22(2)21(25)20(23-12-11-15-9-7-6-8-10-15)16-13-19(28-4)17(14-18(16)29-22)24(3)30(5,26)27/h6-10,13-14,20-21,23,25H,11-12H2,1-5H3/t20-,21+/m0/s1