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

Systemtic Name: 3-[3-(4-ethanoylpiperazin-1-yl)sulfonyl-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)sulfonyl-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: 3-[3-[(4-acetyl-1-piperazinyl)sulfonyl]-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)sulfonyl-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: 3-[3-(4-acetylpiperazino)sulfonyl-4,5-dimethoxy-phenyl]acrylic acid Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O7S/c1-12(20)18-6-8-19(9-7-18)27(23,24)15-11-13(4-5-16(21)22)10-14(25-2)17(15)26-3/h4-5,10-11H,6-9H2,1-3H3,(H,21,22)