1-ethoxy-4-(2-hydroxyethylamino)-2-methyl-5-[2-(methylsulfonylamino)phenyl]indole-3-carboxylic acid

Systemtic Name: 1-ethoxy-4-(2-hydroxyethylamino)-2-methyl-5-[2-(methylsulfonylamino)phenyl]indole-3-carboxylic acid Openeye Name: 1-ethoxy-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-2-methyl-indole-3-carboxylic acid CAS Name: 1-ethoxy-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-2-methyl-3-indolecarboxylic acid IUPAC Name: 1-ethoxy-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-2-methylindole-3-carboxylic acid Traditional Name: 1-ethoxy-4-(2-hydroxyethylamino)-5-[2-(methanesulfonamido)phenyl]-2-methyl-indole-3-carboxylic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCON1C(=C(C2=C1C=CC(=C2NCCO)C3=CC=CC=C3NS(=O)(=O)C)C(=O)O)C

Isomeric SMILES

CCON1C(=C(C2=C1C=CC(=C2NCCO)C3=CC=CC=C3NS(=O)(=O)C)C(=O)O)C

InChI

InChI=1S/C21H25N3O6S/c1-4-30-24-13(2)18(21(26)27)19-17(24)10-9-15(20(19)22-11-12-25)14-7-5-6-8-16(14)23-31(3,28)29/h5-10,22-23,25H,4,11-12H2,1-3H3,(H,26,27)