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

Systemtic Name: N-[(3R,4S)-2,2-dimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]-4-methyl-benzenesulfonamide CAS Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-7-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydrochromen-7-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)chroman-7-yl]-4-methyl-benzenesulfonamide Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C(C(C(O3)(C)C)O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)[C@@H]([C@H](C(O3)(C)C)O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4S/c1-18-9-12-21(13-10-18)33(30,31)28-20-11-14-22-23(17-20)32-26(2,3)25(29)24(22)27-16-15-19-7-5-4-6-8-19/h4-14,17,24-25,27-29H,15-16H2,1-3H3/t24-,25+/m0/s1