6-[[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]-2H-isoquinolin-1-one

Systemtic Name: 6-[[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]-2H-isoquinolin-1-one Openeye Name: 6-[[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-oxo-piperazin-1-yl]methyl]-2H-isoquinolin-1-one CAS Name: 6-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-2H-isoquinolin-1-one IUPAC Name: 6-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]-2H-isoquinolin-1-one Traditional Name: 6-[[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-keto-piperazino]methyl]isocarbostyril Formula: C22H18ClN3O4S2 MolecularWeight: 487.97902

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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(=O)NC=C5

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C(=O)NC=C5

InChI

InChI=1S/C22H18ClN3O4S2/c23-17-3-2-16-10-21(31-19(16)11-17)32(29,30)26-8-7-25(20(27)13-26)12-14-1-4-18-15(9-14)5-6-24-22(18)28/h1-6,9-11H,7-8,12-13H2,(H,24,28)