(E)-3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-3-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxyindol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]acrylic acid Formula: C18H13Cl2NO5S MolecularWeight: 426.27052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C=CC(=O)O)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2/C=C/C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2NO5S/c1-26-12-3-6-17-14(8-12)11(2-7-18(22)23)10-21(17)27(24,25)13-4-5-15(19)16(20)9-13/h2-10H,1H3,(H,22,23)/b7-2+