2-[(4-bromophenyl)sulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-bromophenyl)sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(4-bromophenyl)sulfonyl-propanoic acid CAS Name: 2-[(4-bromophenyl)sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(4-bromophenyl)sulfonylpropanoic acid Traditional Name: 2-benzyl-3-brosyl-propionic acid Formula: C16H15BrO4S MolecularWeight: 383.2569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H15BrO4S/c17-14-6-8-15(9-7-14)22(20,21)11-13(16(18)19)10-12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,18,19)