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

Systemtic Name: N-[(3R,4S)-2,2-dimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]methanesulfonamide Openeye Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]methanesulfonamide CAS Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-7-yl]methanesulfonamide IUPAC Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]methanesulfonamide Traditional Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]methanesulfonamide Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C=C2)NS(=O)(=O)C)NCCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=C(C=C2)NS(=O)(=O)C)NCCC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H26N2O4S/c1-20(2)19(23)18(21-12-11-14-7-5-4-6-8-14)16-10-9-15(13-17(16)26-20)22-27(3,24)25/h4-10,13,18-19,21-23H,11-12H2,1-3H3/t18-,19+/m0/s1