3-[(5-bromanylthiophen-2-yl)sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[(5-bromo-2-thienyl)sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[(5-bromo-2-thiophenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[(5-bromothiophen-2-yl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[(5-bromo-2-thienyl)sulfonylamino]-3-phenyl-propionic acid Formula: C13H12BrNO4S2 MolecularWeight: 390.27268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C13H12BrNO4S2/c14-11-6-7-13(20-11)21(18,19)15-10(8-12(16)17)9-4-2-1-3-5-9/h1-7,10,15H,8H2,(H,16,17)