(4-tert-butylphenyl)-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(2-fluoro-4-methylsulfonyl-phenyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(2-fluoro-4-mesyl-phenyl)-1,4-diazepan-1-yl]methanone Formula: C23H29FN2O3S MolecularWeight: 432.551363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2O3S/c1-23(2,3)18-8-6-17(7-9-18)22(27)26-13-5-12-25(14-15-26)21-11-10-19(16-20(21)24)30(4,28)29/h6-11,16H,5,12-15H2,1-4H3