3-[(4-chloranyl-2-fluoranyl-phenyl)sulfonyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-[(4-chloranyl-2-fluoranyl-phenyl)sulfonyl-(phenylmethyl)amino]propanoic acid Openeye Name: 3-[benzyl-(4-chloro-2-fluoro-phenyl)sulfonyl-amino]propanoic acid CAS Name: 3-[(4-chloro-2-fluorophenyl)sulfonyl-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[benzyl-(4-chloro-2-fluorophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[benzyl-(4-chloro-2-fluoro-phenyl)sulfonyl-amino]propionic acid Formula: C16H15ClFNO4S MolecularWeight: 371.811003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C2=C(C=C(C=C2)Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C16H15ClFNO4S/c17-13-6-7-15(14(18)10-13)24(22,23)19(9-8-16(20)21)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,21)