methyl 4-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]butanoate

Systemtic Name: methyl 4-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]butanoate Openeye Name: methyl 4-[(5-bromo-2-methoxy-phenyl)sulfonylamino]butanoate CAS Name: 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]butanoate Traditional Name: 4-[(5-bromo-2-methoxy-phenyl)sulfonylamino]butyric acid methyl ester Formula: C12H16BrNO5S MolecularWeight: 366.22814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCCC(=O)OC

InChI

InChI=1S/C12H16BrNO5S/c1-18-10-6-5-9(13)8-11(10)20(16,17)14-7-3-4-12(15)19-2/h5-6,8,14H,3-4,7H2,1-2H3