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

Systemtic Name: 2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(4-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]-N-(4-methylsulfonylphenyl)acetamide CAS Name: 2-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]-N-(4-methylsulfonylphenyl)acetamide Traditional Name: 2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]-N-(4-mesylphenyl)acetamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O4S/c1-3-17-4-6-18(7-5-17)22(27)25-14-12-24(13-15-25)16-21(26)23-19-8-10-20(11-9-19)30(2,28)29/h4-11H,3,12-16H2,1-2H3,(H,23,26)/p+1