1-[(2-methylphenyl)methyl]-4-(phenylmethyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(phenylmethyl)sulfonyl-1,4-diazepane Openeye Name: 1-benzylsulfonyl-4-(o-tolylmethyl)-1,4-diazepane CAS Name: 1-[(2-methylphenyl)methyl]-4-(phenylmethyl)sulfonyl-1,4-diazepane IUPAC Name: 1-benzylsulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-benzylsulfonyl-4-(2-methylbenzyl)-1,4-diazepane Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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