N-[(3-methoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-m-anisyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H24N3O4S2+ MolecularWeight: 410.53086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H23N3O4S2/c1-25-16-5-2-4-15(12-16)13-19-17(22)14-20-7-9-21(10-8-20)27(23,24)18-6-3-11-26-18/h2-6,11-12H,7-10,13-14H2,1H3,(H,19,22)/p+1