2-[[4-(4-bromophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-butanoic acid Openeye Name: 2-[[4-(4-bromophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-butanoic acid CAS Name: 2-[[4-(4-bromophenyl)-1-piperazinyl]sulfonylmethyl]-3-methylbutanoic acid IUPAC Name: 2-[[4-(4-bromophenyl)piperazin-1-yl]sulfonylmethyl]-3-methylbutanoic acid Traditional Name: 2-[[4-(4-bromophenyl)piperazino]sulfonylmethyl]-3-methyl-butyric acid Formula: C16H23BrN2O4S MolecularWeight: 419.33382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H23BrN2O4S/c1-12(2)15(16(20)21)11-24(22,23)19-9-7-18(8-10-19)14-5-3-13(17)4-6-14/h3-6,12,15H,7-11H2,1-2H3,(H,20,21)