(2S)-N-(propan-2-ylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(propan-2-ylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(isopropylcarbamoyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[oxo-(propan-2-ylamino)methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(propan-2-ylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(isopropylcarbamoyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C15H25N4O4S2+ MolecularWeight: 389.5134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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