butyl 4-[2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]benzoic acid butyl ester Formula: C26H27FN2O5S2 MolecularWeight: 530.631383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C26H27FN2O5S2/c1-3-4-16-34-26(31)19-8-10-21(11-9-19)28-25(30)18-29(22-7-5-6-20(27)17-22)36(32,33)24-14-12-23(35-2)13-15-24/h5-15,17H,3-4,16,18H2,1-2H3,(H,28,30)