methyl 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]ethanoate

Systemtic Name: methyl 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]ethanoate Openeye Name: methyl 2-[(3R,4S)-3-phenyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-4-yl]acetate CAS Name: 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetate Traditional Name: 2-[(3R,4S)-3-phenyl-2-tosyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid methyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4S/c1-18-12-14-21(15-13-18)31(28,29)26-17-20-10-6-7-11-22(20)23(16-24(27)30-2)25(26)19-8-4-3-5-9-19/h3-15,23,25H,16-17H2,1-2H3/t23-,25-/m0/s1