N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H29N4O4S2+ MolecularWeight: 417.56656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4S2/c1-17(2,3)18-14(22)12-19(4)15(23)13-20-7-9-21(10-8-20)27(24,25)16-6-5-11-26-16/h5-6,11H,7-10,12-13H2,1-4H3,(H,18,22)/p+1