N-[1-[(1-azanylisoquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-6-chloranyl-1-benzothiophene-2-sulfonamide

Systemtic Name: N-[1-[(1-azanylisoquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-6-chloranyl-1-benzothiophene-2-sulfonamide Openeye Name: N-[1-[(1-amino-7-isoquinolyl)methyl]-2-oxo-pyrrolidin-3-yl]-6-chloro-benzothiophene-2-sulfonamide CAS Name: N-[1-[(1-amino-7-isoquinolinyl)methyl]-2-oxo-3-pyrrolidinyl]-6-chloro-1-benzothiophene-2-sulfonamide IUPAC Name: N-[1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-6-chloro-1-benzothiophene-2-sulfonamide Traditional Name: N-[1-[(1-amino-7-isoquinolyl)methyl]-2-keto-pyrrolidin-3-yl]-6-chloro-benzothiophene-2-sulfonamide Formula: C22H19ClN4O3S2 MolecularWeight: 486.99426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C22H19ClN4O3S2/c23-16-4-3-15-10-20(31-19(15)11-16)32(29,30)26-18-6-8-27(22(18)28)12-13-1-2-14-5-7-25-21(24)17(14)9-13/h1-5,7,9-11,18,26H,6,8,12H2,(H2,24,25)