4-bromanyl-3-ethoxy-2-[ethyl(methylsulfonyl)amino]benzoic acid

Systemtic Name: 4-bromanyl-3-ethoxy-2-[ethyl(methylsulfonyl)amino]benzoic acid Openeye Name: 4-bromo-3-ethoxy-2-[ethyl(methylsulfonyl)amino]benzoic acid CAS Name: 4-bromo-3-ethoxy-2-[ethyl(methylsulfonyl)amino]benzoic acid IUPAC Name: 4-bromo-3-ethoxy-2-[ethyl(methylsulfonyl)amino]benzoic acid Traditional Name: 4-bromo-3-ethoxy-2-[ethyl(mesyl)amino]benzoic acid Formula: C12H16BrNO5S MolecularWeight: 366.22814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=C1OCC)Br)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCN(C1=C(C=CC(=C1OCC)Br)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C12H16BrNO5S/c1-4-14(20(3,17)18)10-8(12(15)16)6-7-9(13)11(10)19-5-2/h6-7H,4-5H2,1-3H3,(H,15,16)