N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C23H29N4O6S+ MolecularWeight: 489.56456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H28N4O6S/c1-15-10-16(2)22(17(3)11-15)34(30,31)27-8-6-26(7-9-27)13-21(28)25-23(29)24-18-4-5-19-20(12-18)33-14-32-19/h4-5,10-12H,6-9,13-14H2,1-3H3,(H2,24,25,28,29)/p+1