2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C21H28ClN4O3S2+ MolecularWeight: 484.05502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(S4)Cl

InChI

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