[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C20H23FN2O5S MolecularWeight: 422.470423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H23FN2O5S/c1-14(2)11-12-22-19(24)13-28-20(25)15-3-7-17(8-4-15)23-29(26,27)18-9-5-16(21)6-10-18/h3-10,14,23H,11-13H2,1-2H3,(H,22,24)