N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H25N4O4S2+ MolecularWeight: 413.5348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H24N4O4S2/c1-17(2,3)13-11-15(25-19-13)18-14(22)12-20-6-8-21(9-7-20)27(23,24)16-5-4-10-26-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,18,22)/p+1