4-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2,2-dimethyl-butanoic acid

Systemtic Name: 4-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2,2-dimethyl-butanoic acid Openeye Name: 4-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2,2-dimethyl-butanoic acid CAS Name: 4-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2,2-dimethylbutanoic acid IUPAC Name: 4-[4-[(4-bromophenyl)sulfonylamino]phenyl]-2,2-dimethylbutanoic acid Traditional Name: 4-[4-(brosylamino)phenyl]-2,2-dimethyl-butyric acid Formula: C18H20BrNO4S MolecularWeight: 426.3247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)(CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C18H20BrNO4S/c1-18(2,17(21)22)12-11-13-3-7-15(8-4-13)20-25(23,24)16-9-5-14(19)6-10-16/h3-10,20H,11-12H2,1-2H3,(H,21,22)