2-(isoquinolin-5-ylsulfonylamino)-3-methyl-butanoic acid; 2-phenylbenzamide

Systemtic Name: 2-(isoquinolin-5-ylsulfonylamino)-3-methyl-butanoic acid; 2-phenylbenzamide Openeye Name: 2-(5-isoquinolylsulfonylamino)-3-methyl-butanoic acid; 2-phenylbenzamide CAS Name: 2-(5-isoquinolinylsulfonylamino)-3-methylbutanoic acid; 2-phenylbenzamide IUPAC Name: 2-(isoquinolin-5-ylsulfonylamino)-3-methylbutanoic acid; 2-phenylbenzamide Traditional Name: 2-(5-isoquinolylsulfonylamino)-3-methyl-butyric acid; 2-phenylbenzamide Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2.C1=CC=C(C=C1)C2=CC=CC=C2C(=O)N

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2.C1=CC=C(C=C1)C2=CC=CC=C2C(=O)N

InChI

InChI=1S/C14H16N2O4S.C13H11NO/c1-9(2)13(14(17)18)16-21(19,20)12-5-3-4-10-8-15-7-6-11(10)12;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h3-9,13,16H,1-2H3,(H,17,18);1-9H,(H2,14,15)