2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide Traditional Name: N-(3-mesylphenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-3-28-20-10-5-4-9-19(20)24-13-11-23(12-14-24)16-21(25)22-17-7-6-8-18(15-17)29(2,26)27/h4-10,15H,3,11-14,16H2,1-2H3,(H,22,25)/p+1