methyl 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate

Systemtic Name: methyl 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate Openeye Name: methyl 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate Traditional Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-3-(4-fluorophenyl)propionic acid methyl ester Formula: C17H17BrFNO5S MolecularWeight: 446.287983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C17H17BrFNO5S/c1-24-15-8-5-12(18)10-16(15)26(22,23)20-14(17(21)25-2)9-11-3-6-13(19)7-4-11/h3-8,10,14,20H,9H2,1-2H3