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

Systemtic Name: 3-[5-ethoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-ethoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-ethoxy-1-(4-methoxyphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-ethoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-ethoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propionic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-3-27-16-7-10-19-18(12-16)14(4-11-20(22)23)13-21(19)28(24,25)17-8-5-15(26-2)6-9-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,23)