ethyl 3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoate CAS Name: 3-[[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoate Traditional Name: 3-[(2-mesyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzoic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C20H22N2O5S/c1-3-27-20(24)15-9-6-10-17(11-15)21-19(23)18-12-14-7-4-5-8-16(14)13-22(18)28(2,25)26/h4-11,18H,3,12-13H2,1-2H3,(H,21,23)