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

Systemtic Name: 3-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-4,5-dimethoxy-phenyl]prop-2-enoic acid Openeye Name: 3-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-4,5-dimethoxy-phenyl]prop-2-enoic acid CAS Name: 3-[3-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]sulfonyl]-4,5-dimethoxyphenyl]-2-propenoic acid IUPAC Name: 3-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-4,5-dimethoxyphenyl]prop-2-enoic acid Traditional Name: 3-[3-[4-(4-chlorophenyl)sulfonylpiperazino]sulfonyl-4,5-dimethoxy-phenyl]acrylic acid Formula: C21H23ClN2O8S2 MolecularWeight: 530.99892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H23ClN2O8S2/c1-31-18-13-15(3-8-20(25)26)14-19(21(18)32-2)34(29,30)24-11-9-23(10-12-24)33(27,28)17-6-4-16(22)5-7-17/h3-8,13-14H,9-12H2,1-2H3,(H,25,26)