N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C25H26N3O6S+ MolecularWeight: 496.55544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)OCO2

InChI

InChI=1S/C25H25N3O6S/c1-17(29)21-13-23-24(34-16-33-23)14-22(21)26-25(30)15-27-8-10-28(11-9-27)35(31,32)20-7-6-18-4-2-3-5-19(18)12-20/h2-7,12-14H,8-11,15-16H2,1H3,(H,26,30)/p+1