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

Systemtic Name: N-[(3R,4S)-6-bromanyl-2,2-dimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]methanesulfonamide Openeye Name: N-[(3R,4S)-6-bromo-3-hydroxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]methanesulfonamide CAS Name: N-[(3R,4S)-6-bromo-3-hydroxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-7-yl]methanesulfonamide IUPAC Name: N-[(3R,4S)-6-bromo-3-hydroxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]methanesulfonamide Traditional Name: N-[(3R,4S)-6-bromo-3-hydroxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]methanesulfonamide Formula: C20H25BrN2O4S MolecularWeight: 469.3925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O4S/c1-20(2)19(24)18(22-10-9-13-7-5-4-6-8-13)14-11-15(21)16(12-17(14)27-20)23-28(3,25)26/h4-8,11-12,18-19,22-24H,9-10H2,1-3H3/t18-,19+/m0/s1