3-[5-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[1-(4-isopropoxyphenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-(4-propan-2-yloxyphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[1-(4-isopropoxyphenyl)sulfonyl-5-methoxy-indol-3-yl]propionic acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CCC(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CCC(=O)O

InChI

InChI=1S/C21H23NO6S/c1-14(2)28-16-5-8-18(9-6-16)29(25,26)22-13-15(4-11-21(23)24)19-12-17(27-3)7-10-20(19)22/h5-10,12-14H,4,11H2,1-3H3,(H,23,24)