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

Systemtic Name: methyl 5-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-styrylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[(4-styrylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O5S/c1-26-20(23)19-9-8-18(27-19)16-21-11-5-12-22(14-13-21)28(24,25)15-10-17-6-3-2-4-7-17/h2-4,6-10,15H,5,11-14,16H2,1H3