4-[(3-bromophenyl)methyl-(4-fluorophenyl)sulfonyl-amino]butanoate

Systemtic Name: 4-[(3-bromophenyl)methyl-(4-fluorophenyl)sulfonyl-amino]butanoate Openeye Name: 4-[(3-bromophenyl)methyl-(4-fluorophenyl)sulfonyl-amino]butanoate CAS Name: 4-[(3-bromophenyl)methyl-(4-fluorophenyl)sulfonylamino]butanoate IUPAC Name: 4-[(3-bromophenyl)methyl-(4-fluorophenyl)sulfonylamino]butanoate Traditional Name: 4-[(3-bromobenzyl)-(4-fluorophenyl)sulfonyl-amino]butyrate Formula: C17H16BrFNO4S- MolecularWeight: 429.280643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN(CCCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN(CCCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H17BrFNO4S/c18-14-4-1-3-13(11-14)12-20(10-2-5-17(21)22)25(23,24)16-8-6-15(19)7-9-16/h1,3-4,6-9,11H,2,5,10,12H2,(H,21,22)/p-1