[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 3-(tert-butylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(tert-butylsulfamoyl)-4-methoxybenzoic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(tert-butylsulfamoyl)-4-methoxy-benzoic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NCC2=CC=CC=C2F)OC

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)NCC2=CC=CC=C2F)OC

InChI

InChI=1S/C21H25FN2O6S/c1-21(2,3)24-31(27,28)18-11-14(9-10-17(18)29-4)20(26)30-13-19(25)23-12-15-7-5-6-8-16(15)22/h5-11,24H,12-13H2,1-4H3,(H,23,25)