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

Systemtic Name: methyl 5-[[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(1-methyl-4-imidazolyl)sulfonyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C16H22N4O5S/c1-18-11-15(17-12-18)26(22,23)20-7-3-6-19(8-9-20)10-13-4-5-14(25-13)16(21)24-2/h4-5,11-12H,3,6-10H2,1-2H3