(2-bromophenyl) 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: (2-bromophenyl) 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate Openeye Name: (2-bromophenyl) 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoic acid (2-bromophenyl) ester IUPAC Name: (2-bromophenyl) 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]butyric acid (2-bromophenyl) ester Formula: C17H17BrFNO4S MolecularWeight: 430.288583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC1=CC=CC=C1Br)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CCCC(=O)OC1=CC=CC=C1Br)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H17BrFNO4S/c1-20(25(22,23)14-10-8-13(19)9-11-14)12-4-7-17(21)24-16-6-3-2-5-15(16)18/h2-3,5-6,8-11H,4,7,12H2,1H3