(E)-3-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4,5-dimethoxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4,5-dimethoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4,5-dimethoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-4,5-dimethoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4,5-dimethoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4,5-dimethoxy-phenyl]acrylate Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2OC)OC)C=CC(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2OC)OC)/C=C/C(=O)[O-]

InChI

InChI=1S/C17H24N2O6S/c1-4-18-7-9-19(10-8-18)26(22,23)15-12-13(5-6-16(20)21)11-14(24-2)17(15)25-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,21)/b6-5+