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

Systemtic Name: 3-[5-ethoxy-1-(4-ethylphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-ethoxy-1-(4-ethylphenyl)sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-ethoxy-1-(4-ethylphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-ethoxy-1-(4-ethylphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-ethoxy-1-(4-ethylphenyl)sulfonyl-indol-3-yl]propionic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OCC)CCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OCC)CCC(=O)O

InChI

InChI=1S/C21H23NO5S/c1-3-15-5-9-18(10-6-15)28(25,26)22-14-16(7-12-21(23)24)19-13-17(27-4-2)8-11-20(19)22/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3,(H,23,24)