3-[(5-bromanylthiophen-2-yl)carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[(5-bromothiophene-2-carbonyl)amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[(5-bromothiophene-2-carbonyl)amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[(5-bromothiophene-2-carbonyl)amino]propionic acid Formula: C14H13BrN2O5S2 MolecularWeight: 433.29742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C14H13BrN2O5S2/c15-12-7-6-11(23-12)13(18)16-8-10(14(19)20)17-24(21,22)9-4-2-1-3-5-9/h1-7,10,17H,8H2,(H,16,18)(H,19,20)