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

Systemtic Name: N-[(3S)-1-[(6-azanyl-1-chloranyl-isoquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-6-chloranyl-1-benzothiophene-2-sulfonamide Openeye Name: N-[(3S)-1-[(6-amino-1-chloro-7-isoquinolyl)methyl]-2-oxo-pyrrolidin-3-yl]-6-chloro-benzothiophene-2-sulfonamide CAS Name: N-[(3S)-1-[(6-amino-1-chloro-7-isoquinolinyl)methyl]-2-oxo-3-pyrrolidinyl]-6-chloro-1-benzothiophene-2-sulfonamide IUPAC Name: N-[(3S)-1-[(6-amino-1-chloroisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-6-chloro-1-benzothiophene-2-sulfonamide Traditional Name: N-[(3S)-1-[(6-amino-1-chloro-7-isoquinolyl)methyl]-2-keto-pyrrolidin-3-yl]-6-chloro-benzothiophene-2-sulfonamide Formula: C22H18Cl2N4O3S2 MolecularWeight: 521.43932

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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=C(C=C5C=CN=C(C5=C4)Cl)N

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=C(C=C5C=CN=C(C5=C4)Cl)N

InChI

InChI=1S/C22H18Cl2N4O3S2/c23-15-2-1-13-9-20(32-19(13)10-15)33(30,31)27-18-4-6-28(22(18)29)11-14-7-16-12(8-17(14)25)3-5-26-21(16)24/h1-3,5,7-10,18,27H,4,6,11,25H2/t18-/m0/s1