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

Systemtic Name: 2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide Traditional Name: 2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(3-mesylphenyl)acetamide Formula: C20H23ClN3O4S+ MolecularWeight: 436.93232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4S/c1-29(27,28)18-4-2-3-17(13-18)22-19(25)14-23-9-11-24(12-10-23)20(26)15-5-7-16(21)8-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,25)/p+1