[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 4-[(3-fluoro-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 4-[(3-fluoro-2-methylphenyl)sulfonylamino]benzoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-[(3-fluoro-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(3-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C25H25FN2O5S MolecularWeight: 484.539803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3C)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3C)F)C

InChI

InChI=1S/C25H25FN2O5S/c1-4-18-8-5-7-16(2)24(18)27-23(29)15-33-25(30)19-11-13-20(14-12-19)28-34(31,32)22-10-6-9-21(26)17(22)3/h5-14,28H,4,15H2,1-3H3,(H,27,29)