2-(isoquinolin-5-ylsulfonylamino)-2-methyl-3-phenyl-propanoic acid

Systemtic Name: 2-(isoquinolin-5-ylsulfonylamino)-2-methyl-3-phenyl-propanoic acid Openeye Name: 2-(5-isoquinolylsulfonylamino)-2-methyl-3-phenyl-propanoic acid CAS Name: 2-(5-isoquinolinylsulfonylamino)-2-methyl-3-phenylpropanoic acid IUPAC Name: 2-(isoquinolin-5-ylsulfonylamino)-2-methyl-3-phenylpropanoic acid Traditional Name: 2-(5-isoquinolylsulfonylamino)-2-methyl-3-phenyl-propionic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H18N2O4S/c1-19(18(22)23,12-14-6-3-2-4-7-14)21-26(24,25)17-9-5-8-15-13-20-11-10-16(15)17/h2-11,13,21H,12H2,1H3,(H,22,23)