3-[1-[2-(3,4-dimethylphenyl)phenyl]sulfonyl-5-ethoxy-indol-3-yl]propanoic acid

Systemtic Name: 3-[1-[2-(3,4-dimethylphenyl)phenyl]sulfonyl-5-ethoxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-[2-(3,4-dimethylphenyl)phenyl]sulfonyl-5-ethoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-[2-(3,4-dimethylphenyl)phenyl]sulfonyl-5-ethoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-[2-(3,4-dimethylphenyl)phenyl]sulfonyl-5-ethoxyindol-3-yl]propanoic acid Traditional Name: 3-[1-[2-(3,4-dimethylphenyl)phenyl]sulfonyl-5-ethoxy-indol-3-yl]propionic acid Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC=C3C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C27H27NO5S/c1-4-33-22-12-13-25-24(16-22)21(11-14-27(29)30)17-28(25)34(31,32)26-8-6-5-7-23(26)20-10-9-18(2)19(3)15-20/h5-10,12-13,15-17H,4,11,14H2,1-3H3,(H,29,30)