[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C17H18N2O5S/c1-25(22,23)19-10-13-6-3-2-5-12(13)9-15(19)17(21)24-11-16(20)14-7-4-8-18-14/h2-8,15,18H,9-11H2,1H3/t15-/m1/s1