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

Systemtic Name: 4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-(isoquinolin-6-ylmethyl)piperazin-2-one Openeye Name: 4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-(6-isoquinolylmethyl)piperazin-2-one CAS Name: 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-(6-isoquinolinylmethyl)-2-piperazinone IUPAC Name: 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-(isoquinolin-6-ylmethyl)piperazin-2-one Traditional Name: 4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-(6-isoquinolylmethyl)piperazin-2-one Formula: C22H18ClN3O3S2 MolecularWeight: 471.97962

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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=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=NC=C5

InChI

InChI=1S/C22H18ClN3O3S2/c23-19-4-3-17-10-22(30-20(17)11-19)31(28,29)26-8-7-25(21(27)14-26)13-15-1-2-18-12-24-6-5-16(18)9-15/h1-6,9-12H,7-8,13-14H2