(4-fluorophenyl) 4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (4-fluorophenyl) 4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: (4-fluorophenyl) 4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxylic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) 4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-mesylbenzyl)-1,4-diazepane-1-carboxylic acid (4-fluorophenyl) ester Formula: C20H23FN2O4S MolecularWeight: 406.471023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)OC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)OC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O4S/c1-28(25,26)19-9-3-16(4-10-19)15-22-11-2-12-23(14-13-22)20(24)27-18-7-5-17(21)6-8-18/h3-10H,2,11-15H2,1H3