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

Systemtic Name: methyl 3-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoate Openeye Name: methyl 3-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoate CAS Name: 3-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoate Traditional Name: 3-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoic acid methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-20-18(22)17-11-13-6-3-4-7-15(13)12-21(17)27(24,25)16-9-5-8-14(10-16)19(23)26-2/h3-10,17H,11-12H2,1-2H3,(H,20,22)/t17-/m1/s1