methyl (3R)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C19H21NO5S/c1-3-25-16-8-10-17(11-9-16)26(22,23)20-13-15-7-5-4-6-14(15)12-18(20)19(21)24-2/h4-11,18H,3,12-13H2,1-2H3/t18-/m1/s1