N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H21N4O6S2+ MolecularWeight: 453.51254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H20N4O6S2/c23-16(20-18(24)19-13-3-4-14-15(10-13)28-12-27-14)11-21-5-7-22(8-6-21)30(25,26)17-2-1-9-29-17/h1-4,9-10H,5-8,11-12H2,(H2,19,20,23,24)/p+1