2-(isoquinolin-5-ylsulfonylamino)propanoic acid; piperazine-1-carboxamide

Systemtic Name: 2-(isoquinolin-5-ylsulfonylamino)propanoic acid; piperazine-1-carboxamide Openeye Name: 2-(5-isoquinolylsulfonylamino)propanoic acid; piperazine-1-carboxamide CAS Name: 2-(5-isoquinolinylsulfonylamino)propanoic acid; 1-piperazinecarboxamide IUPAC Name: 2-(isoquinolin-5-ylsulfonylamino)propanoic acid; piperazine-1-carboxamide Traditional Name: 2-(5-isoquinolylsulfonylamino)propionic acid; piperazine-1-carboxamide Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2.C1CN(CCN1)C(=O)N

Isomeric SMILES

CC(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2.C1CN(CCN1)C(=O)N

InChI

InChI=1S/C12H12N2O4S.C5H11N3O/c1-8(12(15)16)14-19(17,18)11-4-2-3-9-7-13-6-5-10(9)11;6-5(9)8-3-1-7-2-4-8/h2-8,14H,1H3,(H,15,16);7H,1-4H2,(H2,6,9)