2-[2-[4-chloranyl-3-(2,2-dimethylpropylsulfamoyl)phenyl]-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-[4-chloranyl-3-(2,2-dimethylpropylsulfamoyl)phenyl]-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-[4-chloro-3-(2,2-dimethylpropylsulfamoyl)phenyl]-1H-indol-3-yl]acetic acid CAS Name: 2-[2-[4-chloro-3-(2,2-dimethylpropylsulfamoyl)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-[4-chloro-3-(2,2-dimethylpropylsulfamoyl)phenyl]-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-[4-chloro-3-(neopentylsulfamoyl)phenyl]-1H-indol-3-yl]acetic acid Formula: C21H23ClN2O4S MolecularWeight: 434.93632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNS(=O)(=O)C1=C(C=CC(=C1)C2=C(C3=CC=CC=C3N2)CC(=O)O)Cl

Isomeric SMILES

CC(C)(C)CNS(=O)(=O)C1=C(C=CC(=C1)C2=C(C3=CC=CC=C3N2)CC(=O)O)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-21(2,3)12-23-29(27,28)18-10-13(8-9-16(18)22)20-15(11-19(25)26)14-6-4-5-7-17(14)24-20/h4-10,23-24H,11-12H2,1-3H3,(H,25,26)