N-[1-[(1-azanylisoquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide

Systemtic Name: N-[1-[(1-azanylisoquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Openeye Name: N-[1-[(1-amino-7-isoquinolyl)methyl]-2-oxo-pyrrolidin-3-yl]benzothiophene-2-sulfonamide CAS Name: N-[1-[(1-amino-7-isoquinolinyl)methyl]-2-oxo-3-pyrrolidinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: N-[1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Traditional Name: N-[1-[(1-amino-7-isoquinolyl)methyl]-2-keto-pyrrolidin-3-yl]benzothiophene-2-sulfonamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=CC=CC=C3S2)CC4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=CC=CC=C3S2)CC4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C22H20N4O3S2/c23-21-17-11-14(5-6-15(17)7-9-24-21)13-26-10-8-18(22(26)27)25-31(28,29)20-12-16-3-1-2-4-19(16)30-20/h1-7,9,11-12,18,25H,8,10,13H2,(H2,23,24)