2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C26H28N3O5S2+ MolecularWeight: 526.64762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H27N3O5S2/c30-26(27-22-8-4-5-9-25(22)35-20-6-2-1-3-7-20)19-28-12-14-29(15-13-28)36(31,32)21-10-11-23-24(18-21)34-17-16-33-23/h1-11,18H,12-17,19H2,(H,27,30)/p+1