3-[4-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2,6-diisopropylphenyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2,6-diisopropylphenyl)sulfamoyl]phenyl]propionic acid Formula: C21H27NO4S MolecularWeight: 389.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C21H27NO4S/c1-14(2)18-6-5-7-19(15(3)4)21(18)22-27(25,26)17-11-8-16(9-12-17)10-13-20(23)24/h5-9,11-12,14-15,22H,10,13H2,1-4H3,(H,23,24)