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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-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=CC=C(S3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(S3)Br

InChI

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