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

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-ethylbenzyl)-4-(4-mesylbenzyl)-1,4-diazepane Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O2S/c1-3-19-5-7-20(8-6-19)17-23-13-4-14-24(16-15-23)18-21-9-11-22(12-10-21)27(2,25)26/h5-12H,3-4,13-18H2,1-2H3