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

Systemtic Name: methyl 5-[[4-[2-(2-phenylethenylsulfonyl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-styrylsulfonylacetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[1-oxo-2-(2-phenylethenylsulfonyl)ethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(2-phenylethenylsulfonyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-styrylsulfonylacetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-29-22(26)20-9-8-19(30-20)16-23-11-5-12-24(14-13-23)21(25)17-31(27,28)15-10-18-6-3-2-4-7-18/h2-4,6-10,15H,5,11-14,16-17H2,1H3