4-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-methyl-amino]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)C1=C(C=CC(=C1)Br)OC

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=C(C=CC(=C1)Br)OC

InChI

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