2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C21H29ClN4O3S2+2 MolecularWeight: 485.06296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H27ClN4O3S2/c22-19-7-8-21(30-19)31(28,29)26-13-11-25(12-14-26)16-20(27)23-18-5-3-17(4-6-18)15-24-9-1-2-10-24/h3-8H,1-2,9-16H2,(H,23,27)/p+2