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

Systemtic Name: 4-[[4-[(5-chloranyl-1-benzofuran-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[[4-(5-chlorobenzofuran-2-yl)sulfonyl-2-oxo-piperazin-1-yl]methyl]benzamidine hydrochloride CAS Name: 4-[[4-[(5-chloro-2-benzofuranyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[[4-[(5-chloro-1-benzofuran-2-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[[4-(5-chlorobenzofuran-2-yl)sulfonyl-2-keto-piperazino]methyl]benzamidine hydrochloride Formula: C20H20Cl2N4O4S MolecularWeight: 483.3682

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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)N.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4S.ClH/c21-16-5-6-17-15(9-16)10-19(29-17)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23;/h1-6,9-10H,7-8,11-12H2,(H3,22,23);1H