5-[(3S)-3-azanylpyrrolidin-1-yl]sulfonyl-4-bromanyl-2H-isoquinolin-1-one

Systemtic Name: 5-[(3S)-3-azanylpyrrolidin-1-yl]sulfonyl-4-bromanyl-2H-isoquinolin-1-one Openeye Name: 5-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-4-bromo-2H-isoquinolin-1-one CAS Name: 5-[[(3S)-3-amino-1-pyrrolidinyl]sulfonyl]-4-bromo-2H-isoquinolin-1-one IUPAC Name: 5-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-4-bromo-2H-isoquinolin-1-one Traditional Name: 5-[(3S)-3-aminopyrrolidino]sulfonyl-4-bromo-isocarbostyril Formula: C13H14BrN3O3S MolecularWeight: 372.23756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(C[C@H]1N)S(=O)(=O)C2=CC=CC3=C2C(=CNC3=O)Br

InChI

InChI=1S/C13H14BrN3O3S/c14-10-6-16-13(18)9-2-1-3-11(12(9)10)21(19,20)17-5-4-8(15)7-17/h1-3,6,8H,4-5,7,15H2,(H,16,18)/t8-/m0/s1