(E)-3-[3-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4,5-dimethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(4-carbethoxypiperazino)sulfonyl-4,5-dimethoxy-phenyl]acrylic acid Formula: C18H24N2O8S MolecularWeight: 428.45676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2OC)OC)C=CC(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2OC)OC)/C=C/C(=O)O

InChI

InChI=1S/C18H24N2O8S/c1-4-28-18(23)19-7-9-20(10-8-19)29(24,25)15-12-13(5-6-16(21)22)11-14(26-2)17(15)27-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,21,22)/b6-5+