(3S,4S)-4-tert-butyl-3-methyl-2-(phenylsulfonyl)-1,3-dihydroisoquinolin-4-ol

Systemtic Name: (3S,4S)-4-tert-butyl-3-methyl-2-(phenylsulfonyl)-1,3-dihydroisoquinolin-4-ol Openeye Name: (3S,4S)-2-(benzenesulfonyl)-4-tert-butyl-3-methyl-1,3-dihydroisoquinolin-4-ol CAS Name: (3S,4S)-2-(benzenesulfonyl)-4-tert-butyl-3-methyl-1,3-dihydroisoquinolin-4-ol IUPAC Name: (3S,4S)-2-(benzenesulfonyl)-4-tert-butyl-3-methyl-1,3-dihydroisoquinolin-4-ol Traditional Name: (3S,4S)-2-besyl-4-tert-butyl-3-methyl-1,3-dihydroisoquinolin-4-ol Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3)(C(C)(C)C)O

Isomeric SMILES

C[C@H]1[C@@](C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC=C3)(C(C)(C)C)O

InChI

InChI=1S/C20H25NO3S/c1-15-20(22,19(2,3)4)18-13-9-8-10-16(18)14-21(15)25(23,24)17-11-6-5-7-12-17/h5-13,15,22H,14H2,1-4H3/t15-,20+/m0/s1