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

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-benzyl-4-(4-mesylbenzyl)-1,4-diazepane Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S/c1-25(23,24)20-10-8-19(9-11-20)17-22-13-5-12-21(14-15-22)16-18-6-3-2-4-7-18/h2-4,6-11H,5,12-17H2,1H3