1,4-bis[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1,4-bis[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1,4-bis[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1,4-bis[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1,4-bis(4-mesylbenzyl)-1,4-diazepane Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O4S2/c1-28(24,25)20-8-4-18(5-9-20)16-22-12-3-13-23(15-14-22)17-19-6-10-21(11-7-19)29(2,26)27/h4-11H,3,12-17H2,1-2H3