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

Systemtic Name: 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[(3R,4S)-3-phenyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid CAS Name: 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid IUPAC Name: 2-[(3R,4S)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid Traditional Name: 2-[(3R,4S)-3-phenyl-2-tosyl-3,4-dihydro-1H-isoquinolin-4-yl]acetic acid Formula: C24H23NO4S MolecularWeight: 421.50872

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO4S/c1-17-11-13-20(14-12-17)30(28,29)25-16-19-9-5-6-10-21(19)22(15-23(26)27)24(25)18-7-3-2-4-8-18/h2-14,22,24H,15-16H2,1H3,(H,26,27)/t22-,24-/m0/s1