3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide

Systemtic Name: 3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide Openeye Name: 3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: 3-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: 3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-[4-(2-ketopyrrolidino)phenyl]propionamide Formula: C21H26ClN4O4S2+ MolecularWeight: 498.03854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H25ClN4O4S2/c22-18-7-8-21(31-18)32(29,30)25-14-12-24(13-15-25)11-9-19(27)23-16-3-5-17(6-4-16)26-10-1-2-20(26)28/h3-8H,1-2,9-15H2,(H,23,27)/p+1