[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(tert-butylsulfamoyl)benzoate

Systemtic Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(tert-butylsulfamoyl)benzoate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(tert-butylsulfamoyl)benzoate CAS Name: 4-(tert-butylsulfamoyl)benzoic acid [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(tert-butylsulfamoyl)benzoate Traditional Name: 4-(tert-butylsulfamoyl)benzoic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C21H25FN2O5S/c1-21(2,3)23-30(27,28)18-10-8-16(9-11-18)20(26)29-14-19(25)24(4)13-15-6-5-7-17(22)12-15/h5-12,23H,13-14H2,1-4H3