1-(2-ethoxycarbonyloxybutyl)-2-phenyl-3H-indole-2-sulfonic acid

Systemtic Name: 1-(2-ethoxycarbonyloxybutyl)-2-phenyl-3H-indole-2-sulfonic acid Openeye Name: 1-(2-ethoxycarbonyloxybutyl)-2-phenyl-indoline-2-sulfonic acid CAS Name: 1-(2-ethoxycarbonyloxybutyl)-2-phenyl-3H-indole-2-sulfonic acid IUPAC Name: 1-(2-ethoxycarbonyloxybutyl)-2-phenyl-3H-indole-2-sulfonic acid Traditional Name: 1-(2-carbethoxyoxybutyl)-2-phenyl-indoline-2-sulfonic acid Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C2=CC=CC=C2CC1(C3=CC=CC=C3)S(=O)(=O)O)OC(=O)OCC

Isomeric SMILES

CCC(CN1C2=CC=CC=C2CC1(C3=CC=CC=C3)S(=O)(=O)O)OC(=O)OCC

InChI

InChI=1S/C21H25NO6S/c1-3-18(28-20(23)27-4-2)15-22-19-13-9-8-10-16(19)14-21(22,29(24,25)26)17-11-6-5-7-12-17/h5-13,18H,3-4,14-15H2,1-2H3,(H,24,25,26)