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

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-(phenylmethylsulfanyl)butanoic acid Openeye Name: 4-benzylsulfanyl-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]butanoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-(phenylmethylthio)butanoic acid IUPAC Name: 4-benzylsulfanyl-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]butanoic acid Traditional Name: 4-(benzylthio)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]butyric acid Formula: C23H22BrNO4S2 MolecularWeight: 520.45908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H22BrNO4S2/c24-20-10-6-18(7-11-20)19-8-12-21(13-9-19)31(28,29)25-22(23(26)27)14-15-30-16-17-4-2-1-3-5-17/h1-13,22,25H,14-16H2,(H,26,27)