5-(3-azanylpyrrolidin-1-yl)sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 5-(3-azanylpyrrolidin-1-yl)sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-(3-aminopyrrolidin-1-yl)sulfonyl-2H-isoquinolin-1-one CAS Name: 5-[(3-amino-1-pyrrolidinyl)sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-(3-aminopyrrolidin-1-yl)sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-(3-aminopyrrolidino)sulfonylisocarbostyril Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

C1CN(CC1N)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C13H15N3O3S/c14-9-5-7-16(8-9)20(18,19)12-3-1-2-11-10(12)4-6-15-13(11)17/h1-4,6,9H,5,7-8,14H2,(H,15,17)