4-[[4-[(5-chloranyl-1-benzofuran-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(5-chloranyl-1-benzofuran-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-chlorobenzofuran-2-yl)sulfonyl-2-oxo-piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-chloro-2-benzofuranyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(5-chloro-1-benzofuran-2-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chlorobenzofuran-2-yl)sulfonyl-2-keto-piperazino]methyl]benzonitrile Formula: C20H16ClN3O4S MolecularWeight: 429.87674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(O2)C=CC(=C3)Cl)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(O2)C=CC(=C3)Cl)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H16ClN3O4S/c21-17-5-6-18-16(9-17)10-20(28-18)29(26,27)24-8-7-23(19(25)13-24)12-15-3-1-14(11-22)2-4-15/h1-6,9-10H,7-8,12-13H2