methyl 2-[(3S,4S)-2-(4-methylphenyl)sulfonyl-4-oxidanyl-3-phenyl-1,3-dihydroisoquinolin-4-yl]ethanoate

Systemtic Name: methyl 2-[(3S,4S)-2-(4-methylphenyl)sulfonyl-4-oxidanyl-3-phenyl-1,3-dihydroisoquinolin-4-yl]ethanoate Openeye Name: methyl 2-[(3S,4S)-4-hydroxy-3-phenyl-2-(p-tolylsulfonyl)-1,3-dihydroisoquinolin-4-yl]acetate CAS Name: 2-[(3S,4S)-4-hydroxy-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydroisoquinolin-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,4S)-4-hydroxy-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydroisoquinolin-4-yl]acetate Traditional Name: 2-[(3S,4S)-4-hydroxy-3-phenyl-2-tosyl-1,3-dihydroisoquinolin-4-yl]acetic acid methyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C(C2C4=CC=CC=C4)(CC(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3[C@]([C@@H]2C4=CC=CC=C4)(CC(=O)OC)O

InChI

InChI=1S/C25H25NO5S/c1-18-12-14-21(15-13-18)32(29,30)26-17-20-10-6-7-11-22(20)25(28,16-23(27)31-2)24(26)19-8-4-3-5-9-19/h3-15,24,28H,16-17H2,1-2H3/t24-,25-/m0/s1