1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(coumaran-5-ylmethyl)-4-(4-mesylbenzyl)-1,4-diazepane Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H28N2O3S/c1-28(25,26)21-6-3-18(4-7-21)16-23-10-2-11-24(13-12-23)17-19-5-8-22-20(15-19)9-14-27-22/h3-8,15H,2,9-14,16-17H2,1H3