1,4-bis(phenylmethyl)-6-(phenylsulfonyl)-1,4-diazepane

Systemtic Name: 1,4-bis(phenylmethyl)-6-(phenylsulfonyl)-1,4-diazepane Openeye Name: 6-(benzenesulfonyl)-1,4-dibenzyl-1,4-diazepane CAS Name: 6-(benzenesulfonyl)-1,4-bis(phenylmethyl)-1,4-diazepane IUPAC Name: 6-(benzenesulfonyl)-1,4-dibenzyl-1,4-diazepane Traditional Name: 1,4-dibenzyl-6-besyl-1,4-diazepane Formula: C25H28N2O2S MolecularWeight: 420.56702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2S/c28-30(29,24-14-8-3-9-15-24)25-20-26(18-22-10-4-1-5-11-22)16-17-27(21-25)19-23-12-6-2-7-13-23/h1-15,25H,16-21H2