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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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