N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H27N4O6S+ MolecularWeight: 487.54868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O6S/c28-22(25-23(29)24-19-6-7-20-21(16-19)33-14-13-32-20)17-26-9-11-27(12-10-26)34(30,31)15-8-18-4-2-1-3-5-18/h1-8,15-16H,9-14,17H2,(H2,24,25,28,29)/p+1/b15-8+