(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (3-morpholinosulfonylbenzyl) ester Formula: C23H27FN2O6S MolecularWeight: 478.533683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H27FN2O6S/c1-16(2)21(25-22(27)19-8-3-4-9-20(19)24)23(28)32-15-17-6-5-7-18(14-17)33(29,30)26-10-12-31-13-11-26/h3-9,14,16,21H,10-13,15H2,1-2H3,(H,25,27)