methyl (3R)-2-(3-acetamido-4-methoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-(3-acetamido-4-methoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-(3-acetamido-4-methoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(3-acetamido-4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-(3-acetamido-4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(3-acetamido-4-methoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OC)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC)OC

InChI

InChI=1S/C20H22N2O6S/c1-13(23)21-17-11-16(8-9-19(17)27-2)29(25,26)22-12-15-7-5-4-6-14(15)10-18(22)20(24)28-3/h4-9,11,18H,10,12H2,1-3H3,(H,21,23)/t18-/m1/s1