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

Systemtic Name: 1-(furan-2-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(2-furylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-(2-furanylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(furan-2-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(2-furfuryl)-4-(4-mesylbenzyl)-1,4-diazepane Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C18H24N2O3S/c1-24(21,22)18-7-5-16(6-8-18)14-19-9-3-10-20(12-11-19)15-17-4-2-13-23-17/h2,4-8,13H,3,9-12,14-15H2,1H3