N-tert-butyl-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[methyl(2-thienylsulfonyl)amino]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[methyl(2-thienylsulfonyl)amino]acetyl]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)C[NH+]1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

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

InChI

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