phenyl 2-ethyl-3-[(4-fluorophenyl)sulfonylamino]-7,7-dimethyl-octanoate

Systemtic Name: phenyl 2-ethyl-3-[(4-fluorophenyl)sulfonylamino]-7,7-dimethyl-octanoate Openeye Name: phenyl 2-ethyl-3-[(4-fluorophenyl)sulfonylamino]-7,7-dimethyl-octanoate CAS Name: 2-ethyl-3-[(4-fluorophenyl)sulfonylamino]-7,7-dimethyloctanoic acid phenyl ester IUPAC Name: phenyl 2-ethyl-3-[(4-fluorophenyl)sulfonylamino]-7,7-dimethyloctanoate Traditional Name: 2-ethyl-3-[(4-fluorophenyl)sulfonylamino]-7,7-dimethyl-caprylic acid phenyl ester Formula: C24H32FNO4S MolecularWeight: 449.578583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)F)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(CCCC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)F)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C24H32FNO4S/c1-5-21(23(27)30-19-10-7-6-8-11-19)22(12-9-17-24(2,3)4)26-31(28,29)20-15-13-18(25)14-16-20/h6-8,10-11,13-16,21-22,26H,5,9,12,17H2,1-4H3