1-[2-(4-bromophenyl)sulfonylethyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepane CAS Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepane Traditional Name: 1-(2-brosylethyl)-4-(4-fluorobenzyl)-1,4-diazepane Formula: C20H24BrFN2O2S MolecularWeight: 455.384163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC=C(C=C2)F)CCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN(C1)CC2=CC=C(C=C2)F)CCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H24BrFN2O2S/c21-18-4-8-20(9-5-18)27(25,26)15-14-23-10-1-11-24(13-12-23)16-17-2-6-19(22)7-3-17/h2-9H,1,10-16H2