[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=C(C=C(C=C2)F)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=C(C=C(C=C2)F)C

InChI

InChI=1S/C21H25FN2O5S/c1-4-16(5-2)23-20(25)13-29-21(26)17-8-6-7-9-18(17)24-30(27,28)19-11-10-15(22)12-14(19)3/h6-12,16,24H,4-5,13H2,1-3H3,(H,23,25)