N-(2,5-dihydrothiophen-3-ylmethyl)-N-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-dihydrothiophen-3-ylmethyl)-N-phenyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,5-dihydrothiophen-3-ylmethyl)-N-phenyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2,5-dihydrothiophen-3-ylmethyl)-N-phenylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,5-dihydrothiophen-3-ylmethyl)-N-phenylacetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(2,5-dihydrothiophen-3-ylmethyl)-N-phenyl-acetamide Formula: C23H28N3O3S2+ MolecularWeight: 458.61672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CC2=CCSC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CC2=CCSC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S2/c27-23(26(17-20-11-16-30-19-20)21-7-3-1-4-8-21)18-24-12-14-25(15-13-24)31(28,29)22-9-5-2-6-10-22/h1-11H,12-19H2/p+1