ethyl N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoyl]carbamate

Systemtic Name: ethyl N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoyl]carbamate Openeye Name: ethyl N-[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]carbamate Traditional Name: N-[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]carbamic acid ethyl ester Formula: C13H20N3O5S2+ MolecularWeight: 362.445

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCOC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C13H19N3O5S2/c1-2-21-13(18)14-11(17)10-15-5-7-16(8-6-15)23(19,20)12-4-3-9-22-12/h3-4,9H,2,5-8,10H2,1H3,(H,14,17,18)/p+1