1-[(3-bromanylthiophen-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromanylthiophen-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromo-2-thienyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromo-2-thiophenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromothiophen-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromo-2-thienyl)methyl]-4-(4-mesylbenzyl)-1,4-diazepane Formula: C18H23BrN2O2S2 MolecularWeight: 443.42142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(C=CS3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(C=CS3)Br

InChI

InChI=1S/C18H23BrN2O2S2/c1-25(22,23)16-5-3-15(4-6-16)13-20-8-2-9-21(11-10-20)14-18-17(19)7-12-24-18/h3-7,12H,2,8-11,13-14H2,1H3