3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)propanoic acid

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)propanoic acid Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-3-(2-furyl)propanoic acid CAS Name: 3-[(4-bromophenyl)sulfonylamino]-3-(2-furanyl)propanoic acid IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)propanoic acid Traditional Name: 3-(brosylamino)-3-(2-furyl)propionic acid Formula: C13H12BrNO5S MolecularWeight: 374.20708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrNO5S/c14-9-3-5-10(6-4-9)21(18,19)15-11(8-13(16)17)12-2-1-7-20-12/h1-7,11,15H,8H2,(H,16,17)