4-[(4-bromophenyl)methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]butanoic acid

Systemtic Name: 4-[(4-bromophenyl)methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]butanoic acid Openeye Name: 4-[(4-bromophenyl)methyl-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]butanoic acid CAS Name: 4-[(4-bromophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[(4-bromophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[(4-bromobenzyl)-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]butyric acid Formula: C18H19BrFNO4S MolecularWeight: 444.315163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(CCCC(=O)O)CC2=CC=C(C=C2)Br)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(CCCC(=O)O)CC2=CC=C(C=C2)Br)F

InChI

InChI=1S/C18H19BrFNO4S/c1-13-11-16(8-9-17(13)20)26(24,25)21(10-2-3-18(22)23)12-14-4-6-15(19)7-5-14/h4-9,11H,2-3,10,12H2,1H3,(H,22,23)