1-[(5-ethylfuran-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-ethylfuran-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-furyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-furanyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylfuran-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-furyl)methyl]-4-(4-mesylbenzyl)-1,4-diazepane Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(O1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H28N2O3S/c1-3-18-7-8-19(25-18)16-22-12-4-11-21(13-14-22)15-17-5-9-20(10-6-17)26(2,23)24/h5-10H,3-4,11-16H2,1-2H3