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

Systemtic Name: methyl 5-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2-(1-naphthalenyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-naphthalen-1-ylethylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(1-naphthyl)ethylsulfonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)CCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H28N2O5S/c1-30-24(27)23-11-10-21(31-23)18-25-13-5-14-26(16-15-25)32(28,29)17-12-20-8-4-7-19-6-2-3-9-22(19)20/h2-4,6-11H,5,12-18H2,1H3