3-[5-ethyl-1-(phenylsulfonyl)indol-3-yl]propanoic acid

Systemtic Name: 3-[5-ethyl-1-(phenylsulfonyl)indol-3-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonyl)-5-ethyl-indol-3-yl]propanoic acid CAS Name: 3-[1-(benzenesulfonyl)-5-ethyl-3-indolyl]propanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)-5-ethylindol-3-yl]propanoic acid Traditional Name: 3-(1-besyl-5-ethyl-indol-3-yl)propionic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO4S/c1-2-14-8-10-18-17(12-14)15(9-11-19(21)22)13-20(18)25(23,24)16-6-4-3-5-7-16/h3-8,10,12-13H,2,9,11H2,1H3,(H,21,22)