(5-bromanylthiophen-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanylthiophen-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-2-thienyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-2-thiophenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromothiophen-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-2-thienyl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C18H21BrN2O3S2 MolecularWeight: 457.40494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H21BrN2O3S2/c1-26(23,24)15-5-3-14(4-6-15)13-20-9-2-10-21(12-11-20)18(22)16-7-8-17(19)25-16/h3-8H,2,9-13H2,1H3