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

Systemtic Name: 2-[(1S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: 2-[(1S)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate IUPAC Name: 2-[(1S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Formula: C18H18NO4S- MolecularWeight: 344.40482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3[C@@H]2CC(=O)[O-]

InChI

InChI=1S/C18H19NO4S/c1-13-6-8-15(9-7-13)24(22,23)19-11-10-14-4-2-3-5-16(14)17(19)12-18(20)21/h2-9,17H,10-12H2,1H3,(H,20,21)/p-1/t17-/m0/s1