3-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]propanoate

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]propanoate Openeye Name: 3-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)propanoate CAS Name: 3-(3-chloro-4-fluoro-N-methylsulfonylanilino)propanoate IUPAC Name: 3-(3-chloro-4-fluoro-N-methylsulfonylanilino)propanoate Traditional Name: 3-(3-chloro-4-fluoro-N-mesyl-anilino)propionate Formula: C10H10ClFNO4S- MolecularWeight: 294.707103

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCC(=O)[O-])C1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CS(=O)(=O)N(CCC(=O)[O-])C1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C10H11ClFNO4S/c1-18(16,17)13(5-4-10(14)15)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3,(H,14,15)/p-1