2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide Traditional Name: N-(3-mesylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H26N3O6S2+ MolecularWeight: 468.56694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O6S2/c1-29-17-6-8-18(9-7-17)31(27,28)23-12-10-22(11-13-23)15-20(24)21-16-4-3-5-19(14-16)30(2,25)26/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1