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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-chlorophenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-chlorophenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-chlorobenzyl)-4-(4-mesylbenzyl)-1,4-diazepane Formula: C20H25ClN2O2S MolecularWeight: 392.9427

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O2S/c1-26(24,25)20-9-5-18(6-10-20)16-23-12-2-11-22(13-14-23)15-17-3-7-19(21)8-4-17/h3-10H,2,11-16H2,1H3