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

Systemtic Name: 3-[5-ethyl-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-ethyl-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-ethyl-1-(4-methoxyphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-ethyl-1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-ethyl-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]propionic acid Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21NO5S/c1-3-14-4-10-19-18(12-14)15(5-11-20(22)23)13-21(19)27(24,25)17-8-6-16(26-2)7-9-17/h4,6-10,12-13H,3,5,11H2,1-2H3,(H,22,23)