N-(2-chlorophenyl)-2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(3-pyrrolidinosulfonylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H28ClN4O4S+ MolecularWeight: 492.01082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

InChI

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