2-[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-oxo-piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxo-1-piperazinyl]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-keto-piperazino]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C20H22ClN5O4S2 MolecularWeight: 496.00278

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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)CC(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C20H22ClN5O4S2/c21-16-3-2-15-10-20(31-17(15)11-16)32(29,30)26-9-8-25(19(28)13-26)12-18(27)23-4-1-6-24-7-5-22-14-24/h2-3,5,7,10-11,14H,1,4,6,8-9,12-13H2,(H,23,27)