(3-methylisoquinolin-4-yl) 3-phenyl-2-(phenylsulfonylamino)propanoate

Systemtic Name: (3-methylisoquinolin-4-yl) 3-phenyl-2-(phenylsulfonylamino)propanoate Openeye Name: (3-methyl-4-isoquinolyl) 2-(benzenesulfonamido)-3-phenyl-propanoate CAS Name: 2-(benzenesulfonamido)-3-phenylpropanoic acid (3-methyl-4-isoquinolinyl) ester IUPAC Name: (3-methylisoquinolin-4-yl) 2-(benzenesulfonamido)-3-phenylpropanoate Traditional Name: 2-(benzenesulfonamido)-3-phenyl-propionic acid (3-methyl-4-isoquinolyl) ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=N1)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=N1)OC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-18-24(22-15-9-8-12-20(22)17-26-18)31-25(28)23(16-19-10-4-2-5-11-19)27-32(29,30)21-13-6-3-7-14-21/h2-15,17,23,27H,16H2,1H3