N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C23H28ClN4O4S+ MolecularWeight: 492.01082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27ClN4O4S/c24-20-9-8-19(33(31,32)28-10-4-5-11-28)16-21(20)25-22(29)17-26-12-14-27(15-13-26)23(30)18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2,(H,25,29)/p+1