methyl 2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C13H13ClFN3O4S MolecularWeight: 361.776423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H13ClFN3O4S/c1-22-13(19)12(4-8-6-16-7-17-8)18-23(20,21)9-2-3-11(15)10(14)5-9/h2-3,5-7,12,18H,4H2,1H3,(H,16,17)