2-(1-oxidanylideneisoquinolin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(1-oxidanylideneisoquinolin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(1-oxo-2-isoquinolyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(1-oxo-2-isoquinolinyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1-oxoisoquinolin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1-keto-2-isoquinolyl)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O4S/c25-20(15-23-14-11-16-5-1-2-6-19(16)21(23)26)22-17-7-9-18(10-8-17)29(27,28)24-12-3-4-13-24/h1-2,5-11,14H,3-4,12-13,15H2,(H,22,25)