(E)-3-[4-(2-chloranyl-4,5-dimethoxy-phenyl)azanidylsulfonylphenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-(2-chloranyl-4,5-dimethoxy-phenyl)azanidylsulfonylphenyl]prop-2-enoate Openeye Name: (E)-3-[4-(2-chloro-4,5-dimethoxy-phenyl)azanidylsulfonylphenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-chloro-4,5-dimethoxyphenyl)azanidylsulfonylphenyl]-2-propenoate IUPAC Name: (E)-3-[4-(2-chloro-4,5-dimethoxyphenyl)azanidylsulfonylphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-chloro-4,5-dimethoxy-phenyl)azanidylsulfonylphenyl]acrylate Formula: C17H14ClNO6S-2 MolecularWeight: 395.81416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)[O-])Cl)OC

InChI

InChI=1S/C17H15ClNO6S/c1-24-15-9-13(18)14(10-16(15)25-2)19-26(22,23)12-6-3-11(4-7-12)5-8-17(20)21/h3-10H,1-2H3,(H,20,21)/q-1/p-1/b8-5+