N-[(3S)-1-[(1-azanylisoquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide

Systemtic Name: N-[(3S)-1-[(1-azanylisoquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide Openeye Name: N-[(3S)-1-[(1-amino-7-isoquinolyl)methyl]-2-oxo-pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide CAS Name: N-[(3S)-1-[(1-amino-7-isoquinolinyl)methyl]-2-oxo-3-pyrrolidinyl]-2-thieno[3,2-b]pyridinesulfonamide IUPAC Name: N-[(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide Traditional Name: N-[(3S)-1-[(1-amino-7-isoquinolyl)methyl]-2-keto-pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(S2)C=CC=N3)CC4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC3=C(S2)C=CC=N3)CC4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1