3-[5-ethoxy-1-(4-phenoxyphenyl)sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-ethoxy-1-(4-phenoxyphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-ethoxy-1-(4-phenoxyphenyl)sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-ethoxy-1-(4-phenoxyphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-ethoxy-1-(4-phenoxyphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-ethoxy-1-(4-phenoxyphenyl)sulfonyl-indol-3-yl]propionic acid Formula: C25H23NO6S MolecularWeight: 465.51822

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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=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H23NO6S/c1-2-31-21-11-14-24-23(16-21)18(8-15-25(27)28)17-26(24)33(29,30)22-12-9-20(10-13-22)32-19-6-4-3-5-7-19/h3-7,9-14,16-17H,2,8,15H2,1H3,(H,27,28)