N-(1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-isoxazol-3-yl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-isoxazolyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-isoxazol-3-yl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C13H17N4O4S2+ MolecularWeight: 357.42848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NOC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NOC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C13H16N4O4S2/c18-12(14-11-3-8-21-15-11)10-16-4-6-17(7-5-16)23(19,20)13-2-1-9-22-13/h1-3,8-9H,4-7,10H2,(H,14,15,18)/p+1