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

Systemtic Name: 2-[2-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-(m-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-(m-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)O

InChI

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