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

Systemtic Name: N-(2-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-phenoxyphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-phenoxyphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H24N3O4S2+ MolecularWeight: 458.57366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H23N3O4S2/c26-21(23-19-9-4-5-10-20(19)29-18-7-2-1-3-8-18)17-24-12-14-25(15-13-24)31(27,28)22-11-6-16-30-22/h1-11,16H,12-15,17H2,(H,23,26)/p+1