2-[5-methoxy-1-(phenylsulfonyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-methoxy-1-(phenylsulfonyl)indol-3-yl]ethanoic acid Openeye Name: 2-[1-(benzenesulfonyl)-5-methoxy-indol-3-yl]acetic acid CAS Name: 2-[1-(benzenesulfonyl)-5-methoxy-3-indolyl]acetic acid IUPAC Name: 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]acetic acid Traditional Name: 2-(1-besyl-5-methoxy-indol-3-yl)acetic acid Formula: C17H15NO5S MolecularWeight: 345.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H15NO5S/c1-23-13-7-8-16-15(10-13)12(9-17(19)20)11-18(16)24(21,22)14-5-3-2-4-6-14/h2-8,10-11H,9H2,1H3,(H,19,20)