1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxidanylidene-4-prop-2-ynyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxidanylidene-4-prop-2-ynyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxo-4-prop-2-ynyl-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxo-4-prop-2-ynyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxo-4-prop-2-ynylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-keto-4-propargyl-piperazine-2-carboxylic acid Formula: C20H17BrN2O5S MolecularWeight: 477.32838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C#CCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H17BrN2O5S/c1-2-11-22-12-18(20(25)26)23(13-19(22)24)29(27,28)17-9-5-15(6-10-17)14-3-7-16(21)8-4-14/h1,3-10,18H,11-13H2,(H,25,26)