N-(2-ethanoyl-5-phenyl-thiophen-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethanoyl-5-phenyl-thiophen-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-acetyl-5-phenyl-3-thienyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-acetyl-5-phenyl-3-thiophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-acetyl-5-phenylthiophen-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-acetyl-5-phenyl-3-thienyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C25H28N3O4S2+ MolecularWeight: 498.63752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C25H27N3O4S2/c1-18-8-10-21(11-9-18)34(31,32)28-14-12-27(13-15-28)17-24(30)26-22-16-23(33-25(22)19(2)29)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,26,30)/p+1