methyl 5-[[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H25BrN2O5S MolecularWeight: 485.3919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C20H25BrN2O5S/c1-3-15-13-16(21)5-8-19(15)29(25,26)23-10-4-9-22(11-12-23)14-17-6-7-18(28-17)20(24)27-2/h5-8,13H,3-4,9-12,14H2,1-2H3