[4-[(4-fluorosulfonylphenyl)amino]-2,2-dimethyl-4-oxidanylidene-3-phenylmethoxy-butyl] ethanoate

Systemtic Name: [4-[(4-fluorosulfonylphenyl)amino]-2,2-dimethyl-4-oxidanylidene-3-phenylmethoxy-butyl] ethanoate Openeye Name: [3-benzyloxy-4-(4-fluorosulfonylanilino)-2,2-dimethyl-4-oxo-butyl] acetate CAS Name: acetic acid [4-(4-fluorosulfonylanilino)-2,2-dimethyl-4-oxo-3-phenylmethoxybutyl] ester IUPAC Name: [4-(4-fluorosulfonylanilino)-2,2-dimethyl-4-oxo-3-phenylmethoxybutyl] acetate Traditional Name: acetic acid [3-benzoxy-4-(4-fluorosulfonylanilino)-4-keto-2,2-dimethyl-butyl] ester Formula: C21H24FNO6S MolecularWeight: 437.481763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)F)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OCC(C)(C)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)F)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24FNO6S/c1-15(24)29-14-21(2,3)19(28-13-16-7-5-4-6-8-16)20(25)23-17-9-11-18(12-10-17)30(22,26)27/h4-12,19H,13-14H2,1-3H3,(H,23,25)