3-[[(3S)-3-[(1-azanylisoquinolin-6-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[(3S)-3-[(1-azanylisoquinolin-6-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-3-[(1-amino-6-isoquinolyl)sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-3-[(1-amino-6-isoquinolinyl)sulfonylamino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-3-[(1-aminoisoquinolin-6-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-3-[(1-amino-6-isoquinolyl)sulfonylamino]-2-keto-pyrrolidino]methyl]benzamidine Formula: C21H22N6O3S MolecularWeight: 438.50278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(C=C2)C(=NC=C3)N)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC3=C(C=C2)C(=NC=C3)N)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C21H22N6O3S/c22-19(23)15-3-1-2-13(10-15)12-27-9-7-18(21(27)28)26-31(29,30)16-4-5-17-14(11-16)6-8-25-20(17)24/h1-6,8,10-11,18,26H,7,9,12H2,(H3,22,23)(H2,24,25)/t18-/m0/s1