(2S)-N-(2-chloranylpyridin-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-chloranylpyridin-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-chloro-3-pyridyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-chloro-3-pyridinyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-chloropyridin-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-chloro-3-pyridyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C16H20ClN4O3S2+ MolecularWeight: 415.938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H19ClN4O3S2/c1-12(16(22)19-13-4-2-6-18-15(13)17)20-7-9-21(10-8-20)26(23,24)14-5-3-11-25-14/h2-6,11-12H,7-10H2,1H3,(H,19,22)/p+1/t12-/m0/s1