N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-methoxyphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-methoxyphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H22N3O4S2+ MolecularWeight: 396.50428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N3O4S2/c1-24-15-6-3-2-5-14(15)18-16(21)13-19-8-10-20(11-9-19)26(22,23)17-7-4-12-25-17/h2-7,12H,8-11,13H2,1H3,(H,18,21)/p+1