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

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-benzoyl-4-chloro-phenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-benzoyl-4-chlorophenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-benzoyl-4-chlorophenyl)acetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(4-besylpiperazin-1-ium-1-yl)acetamide Formula: C25H25ClN3O4S+ MolecularWeight: 499.0017

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24ClN3O4S/c26-20-11-12-23(22(17-20)25(31)19-7-3-1-4-8-19)27-24(30)18-28-13-15-29(16-14-28)34(32,33)21-9-5-2-6-10-21/h1-12,17H,13-16,18H2,(H,27,30)/p+1