[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-[[(E)-styryl]sulfonylamino]propanoate CAS Name: 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Traditional Name: 3-[[(E)-styryl]sulfonylamino]propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CCNS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CCNS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H19NO7S/c22-17(16-6-7-18-19(12-16)28-14-27-18)13-26-20(23)8-10-21-29(24,25)11-9-15-4-2-1-3-5-15/h1-7,9,11-12,21H,8,10,13-14H2/b11-9+