N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C15H25N4O4S2+ MolecularWeight: 389.5134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O4S2/c1-3-12(2)16-15(21)17-13(20)11-18-6-8-19(9-7-18)25(22,23)14-5-4-10-24-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,16,17,20,21)/p+1/t12-/m0/s1