[2-[[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]carbonyl]phenyl] ethanoate

Systemtic Name: [2-[[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]carbonyl]phenyl] ethanoate Openeye Name: [2-[4-(2-fluoro-4-methylsulfonyl-phenyl)-1,4-diazepane-1-carbonyl]phenyl] acetate CAS Name: acetic acid [2-[[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl] ester IUPAC Name: [2-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepane-1-carbonyl]phenyl] acetate Traditional Name: acetic acid [2-[4-(2-fluoro-4-mesyl-phenyl)-1,4-diazepane-1-carbonyl]phenyl] ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C21H23FN2O5S/c1-15(25)29-20-7-4-3-6-17(20)21(26)24-11-5-10-23(12-13-24)19-9-8-16(14-18(19)22)30(2,27)28/h3-4,6-9,14H,5,10-13H2,1-2H3