N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H22ClN4O6S+ MolecularWeight: 481.92988

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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=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H21ClN4O6S/c21-15-3-1-2-4-18(15)32(28,29)25-9-7-24(8-10-25)12-19(26)23-20(27)22-14-5-6-16-17(11-14)31-13-30-16/h1-6,11H,7-10,12-13H2,(H2,22,23,26,27)/p+1