methyl 3-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C17H18N2O5S2/c1-18-16(20)13-9-11-5-3-4-6-12(11)10-19(13)26(22,23)14-7-8-25-15(14)17(21)24-2/h3-8,13H,9-10H2,1-2H3,(H,18,20)/t13-/m1/s1