2-[3-[(3-chloranylisoquinolin-7-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]propanoic acid

Systemtic Name: 2-[3-[(3-chloranylisoquinolin-7-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]propanoic acid Openeye Name: 2-[3-[(3-chloro-7-isoquinolyl)sulfonylamino]-2-oxo-pyrrolidin-1-yl]propanoic acid CAS Name: 2-[3-[(3-chloro-7-isoquinolinyl)sulfonylamino]-2-oxo-1-pyrrolidinyl]propanoic acid IUPAC Name: 2-[3-[(3-chloroisoquinolin-7-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid Traditional Name: 2-[3-[(3-chloro-7-isoquinolyl)sulfonylamino]-2-keto-pyrrolidino]propionic acid Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC(C1=O)NS(=O)(=O)C2=CC3=CN=C(C=C3C=C2)Cl

Isomeric SMILES

CC(C(=O)O)N1CCC(C1=O)NS(=O)(=O)C2=CC3=CN=C(C=C3C=C2)Cl

InChI

InChI=1S/C16H16ClN3O5S/c1-9(16(22)23)20-5-4-13(15(20)21)19-26(24,25)12-3-2-10-7-14(17)18-8-11(10)6-12/h2-3,6-9,13,19H,4-5H2,1H3,(H,22,23)