[5-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[2-(1-naphthalenyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N2O5S/c1-20(28)31-19-24-11-10-23(32-24)18-26-13-5-14-27(16-15-26)33(29,30)17-12-22-8-4-7-21-6-2-3-9-25(21)22/h2-4,6-11H,5,12-19H2,1H3