3-[[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-oxo-piperazin-1-yl]methyl]benzamidine CAS Name: 3-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-keto-piperazino]methyl]benzamidine Formula: C20H19ClN4O3S2 MolecularWeight: 462.97286

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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=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C20H19ClN4O3S2/c21-16-5-4-14-9-19(29-17(14)10-16)30(27,28)25-7-6-24(18(26)12-25)11-13-2-1-3-15(8-13)20(22)23/h1-5,8-10H,6-7,11-12H2,(H3,22,23)