3-[[2-(ethylsulfonylamino)-3-(1H-indol-3-yl)propanoyl]oxymethyl]benzoic acid

Systemtic Name: 3-[[2-(ethylsulfonylamino)-3-(1H-indol-3-yl)propanoyl]oxymethyl]benzoic acid Openeye Name: 3-[[2-(ethylsulfonylamino)-3-(1H-indol-3-yl)propanoyl]oxymethyl]benzoic acid CAS Name: 3-[[2-(ethylsulfonylamino)-3-(1H-indol-3-yl)-1-oxopropoxy]methyl]benzoic acid IUPAC Name: 3-[[2-(ethylsulfonylamino)-3-(1H-indol-3-yl)propanoyl]oxymethyl]benzoic acid Traditional Name: 3-[[2-(esylamino)-3-(1H-indol-3-yl)propanoyl]oxymethyl]benzoic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCS(=O)(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H22N2O6S/c1-2-30(27,28)23-19(11-16-12-22-18-9-4-3-8-17(16)18)21(26)29-13-14-6-5-7-15(10-14)20(24)25/h3-10,12,19,22-23H,2,11,13H2,1H3,(H,24,25)