(3-methylisoquinolin-4-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (3-methylisoquinolin-4-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (3-methyl-4-isoquinolyl) 2-(p-tolylsulfonylamino)propanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]propanoic acid (3-methyl-4-isoquinolinyl) ester IUPAC Name: (3-methylisoquinolin-4-yl) 2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 2-(tosylamino)propionic acid (3-methyl-4-isoquinolyl) ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=C(N=CC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC2=C(N=CC3=CC=CC=C32)C

InChI

InChI=1S/C20H20N2O4S/c1-13-8-10-17(11-9-13)27(24,25)22-15(3)20(23)26-19-14(2)21-12-16-6-4-5-7-18(16)19/h4-12,15,22H,1-3H3