methyl 3-[(4-fluorophenyl)sulfonylamino]-5-[(2-thiophen-3-ylethanoylamino)methyl]benzoate

Systemtic Name: methyl 3-[(4-fluorophenyl)sulfonylamino]-5-[(2-thiophen-3-ylethanoylamino)methyl]benzoate Openeye Name: methyl 3-[(4-fluorophenyl)sulfonylamino]-5-[[[2-(3-thienyl)acetyl]amino]methyl]benzoate CAS Name: 3-[(4-fluorophenyl)sulfonylamino]-5-[[[1-oxo-2-(3-thiophenyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-fluorophenyl)sulfonylamino]-5-[[(2-thiophen-3-ylacetyl)amino]methyl]benzoate Traditional Name: 3-[(4-fluorophenyl)sulfonylamino]-5-[[[2-(3-thienyl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H19FN2O5S2 MolecularWeight: 462.514363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)CC3=CSC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)CNC(=O)CC3=CSC=C3

InChI

InChI=1S/C21H19FN2O5S2/c1-29-21(26)16-8-15(12-23-20(25)10-14-6-7-30-13-14)9-18(11-16)24-31(27,28)19-4-2-17(22)3-5-19/h2-9,11,13,24H,10,12H2,1H3,(H,23,25)