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

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-pyrrolidinosulfonylphenyl)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)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H27ClN4O4S/c24-21-9-2-1-8-20(21)23(30)27-14-12-26(13-15-27)17-22(29)25-18-6-5-7-19(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