(2S)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide

Systemtic Name: (2S)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Openeye Name: (2S)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-isobutyl-propanamide CAS Name: (2S)-2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-isobutyl-propionamide Formula: C15H25ClN3O3S2+ MolecularWeight: 394.9603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C15H24ClN3O3S2/c1-11(2)10-17-15(20)12(3)18-6-8-19(9-7-18)24(21,22)14-5-4-13(16)23-14/h4-5,11-12H,6-10H2,1-3H3,(H,17,20)/p+1/t12-/m0/s1