2-[4-[3-(4-chlorophenyl)sulfonylpropanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(4-chlorophenyl)sulfonylpropanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[3-(4-chlorophenyl)sulfonylpropanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[3-(4-chlorophenyl)sulfonyl-1-oxopropyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[3-(4-chlorophenyl)sulfonylpropanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[3-(4-chlorophenyl)sulfonylpropanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C22H27ClN3O4S+ MolecularWeight: 464.98548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-17-2-6-19(7-3-17)24-21(27)16-25-11-13-26(14-12-25)22(28)10-15-31(29,30)20-8-4-18(23)5-9-20/h2-9H,10-16H2,1H3,(H,24,27)/p+1