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

Systemtic Name: phenyl 2-ethyl-3-[(4-fluorophenyl)sulfonylamino]octanoate Openeye Name: phenyl 2-ethyl-3-[(4-fluorophenyl)sulfonylamino]octanoate CAS Name: 2-ethyl-3-[(4-fluorophenyl)sulfonylamino]octanoic acid phenyl ester IUPAC Name: phenyl 2-ethyl-3-[(4-fluorophenyl)sulfonylamino]octanoate Traditional Name: 2-ethyl-3-[(4-fluorophenyl)sulfonylamino]caprylic acid phenyl ester Formula: C22H28FNO4S MolecularWeight: 421.525423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC)C(=O)OC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCCC(C(CC)C(=O)OC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H28FNO4S/c1-3-5-7-12-21(24-29(26,27)19-15-13-17(23)14-16-19)20(4-2)22(25)28-18-10-8-6-9-11-18/h6,8-11,13-16,20-21,24H,3-5,7,12H2,1-2H3