N-(4-methoxyphenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)-N-(2-thienylmethyl)acetamide CAS Name: N-(4-methoxyphenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)-N-(2-thenyl)acetamide Formula: C25H30N3O4S2+ MolecularWeight: 500.6534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S2/c1-32-23-11-9-22(10-12-23)28(18-24-8-5-17-33-24)25(29)19-26-13-15-27(16-14-26)34(30,31)20-21-6-3-2-4-7-21/h2-12,17H,13-16,18-20H2,1H3/p+1