(2S)-N-propyl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]propanamide

Systemtic Name: (2S)-N-propyl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]propanamide Openeye Name: (2S)-N-propyl-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide CAS Name: (2S)-2-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-N-propyl-2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-propyl-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]propionamide Formula: C16H27N4O4S2+ MolecularWeight: 403.53998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O4S2/c1-3-6-17-16(22)13(2)18-14(21)12-19-7-9-20(10-8-19)26(23,24)15-5-4-11-25-15/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,17,22)(H,18,21)/p+1/t13-/m0/s1