(E)-3-[2-(3-methoxyphenyl)carbonyl-1-(phenylsulfonyl)indol-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(3-methoxyphenyl)carbonyl-1-(phenylsulfonyl)indol-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(benzenesulfonyl)-2-(3-methoxybenzoyl)indol-5-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(benzenesulfonyl)-2-[(3-methoxyphenyl)-oxomethyl]-5-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(benzenesulfonyl)-2-(3-methoxybenzoyl)indol-5-yl]prop-2-enoic acid Traditional Name: (E)-3-(1-besyl-2-m-anisoyl-indol-5-yl)acrylic acid Formula: C25H19NO6S MolecularWeight: 461.48646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)C=CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)/C=C/C(=O)O

InChI

InChI=1S/C25H19NO6S/c1-32-20-7-5-6-18(15-20)25(29)23-16-19-14-17(11-13-24(27)28)10-12-22(19)26(23)33(30,31)21-8-3-2-4-9-21/h2-16H,1H3,(H,27,28)/b13-11+