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

Systemtic Name: 1-(1-benzofuran-2-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(benzofuran-2-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-(2-benzofuranylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(1-benzofuran-2-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(benzofuran-2-ylmethyl)-4-(4-mesylbenzyl)-1,4-diazepane Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H26N2O3S/c1-28(25,26)21-9-7-18(8-10-21)16-23-11-4-12-24(14-13-23)17-20-15-19-5-2-3-6-22(19)27-20/h2-3,5-10,15H,4,11-14,16-17H2,1H3