2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfonylphenyl)acetamide CAS Name: 2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfonylphenyl)acetamide Traditional Name: N-(2-mesylphenyl)-2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H29N3O4S+2 MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-28-18-9-7-17(8-10-18)15-23-11-13-24(14-12-23)16-21(25)22-19-5-3-4-6-20(19)29(2,26)27/h3-10H,11-16H2,1-2H3,(H,22,25)/p+2