methyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methyl-phenoxy]acetate CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylphenoxy]acetate Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methyl-phenoxy]acetic acid methyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)OCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)OCC(=O)OC

InChI

InChI=1S/C19H21NO5S/c1-14-11-17(7-8-18(14)25-13-19(21)24-2)26(22,23)20-10-9-15-5-3-4-6-16(15)12-20/h3-8,11H,9-10,12-13H2,1-2H3