1-[(1-azanylisoquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]piperazin-2-one

Systemtic Name: 1-[(1-azanylisoquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]piperazin-2-one Openeye Name: 1-[(1-amino-7-isoquinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-piperazin-2-one CAS Name: 1-[(1-amino-7-isoquinolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-piperazinone IUPAC Name: 1-[(1-aminoisoquinolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-2-one Traditional Name: 1-[(1-amino-7-isoquinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-piperazin-2-one Formula: C22H19ClN4O3S2 MolecularWeight: 486.99426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C=CN=C5N

InChI

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