2-[4-[3-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[3-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[3-(1,3-benzodioxol-5-ylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[3-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[3-(1,3-benzodioxol-5-ylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[3-(1,3-benzodioxol-5-ylsulfamoyl)benzoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C23H27N4O6S+ MolecularWeight: 487.54868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O6S/c28-22(24-17-4-5-17)14-26-8-10-27(11-9-26)23(29)16-2-1-3-19(12-16)34(30,31)25-18-6-7-20-21(13-18)33-15-32-20/h1-3,6-7,12-13,17,25H,4-5,8-11,14-15H2,(H,24,28)/p+1