1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone Formula: C20H23FN2O4S MolecularWeight: 406.471023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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