[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl] ester Formula: C20H23FN2O5S MolecularWeight: 422.470423

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)F

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)F

InChI

InChI=1S/C20H23FN2O5S/c1-3-10-23(12-15-6-4-14(2)5-7-15)19(24)13-28-20(25)17-11-16(29(22,26)27)8-9-18(17)21/h4-9,11H,3,10,12-13H2,1-2H3,(H2,22,26,27)