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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H22ClN4O5S+ MolecularWeight: 477.94118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)C#N)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21ClN4O5S/c22-18-11-16(2-1-15(18)13-23)24-21(27)14-25-5-7-26(8-6-25)32(28,29)17-3-4-19-20(12-17)31-10-9-30-19/h1-4,11-12H,5-10,14H2,(H,24,27)/p+1