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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C21H25FN2O5S/c1-14(2)10-11-23-20(25)13-29-21(26)17-6-4-5-7-18(17)24-30(27,28)19-9-8-16(22)12-15(19)3/h4-9,12,14,24H,10-11,13H2,1-3H3,(H,23,25)