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

Systemtic Name: N-(2-cyanophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H23N4O5S+ MolecularWeight: 443.49612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C#N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C#N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N4O5S/c22-14-16-3-1-2-4-18(16)23-21(26)15-24-7-9-25(10-8-24)31(27,28)17-5-6-19-20(13-17)30-12-11-29-19/h1-6,13H,7-12,15H2,(H,23,26)/p+1