(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-propionic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C21H24FNO5S/c1-21(2,3)19(24)14-28-20(25)17(13-15-9-5-4-6-10-15)23-29(26,27)18-12-8-7-11-16(18)22/h4-12,17,23H,13-14H2,1-3H3