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

Systemtic Name: methyl 5-[[4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(5-chloro-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(5-chloro-2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(5-chloro-2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(5-chloro-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H23ClN2O6S MolecularWeight: 442.91372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C19H23ClN2O6S/c1-26-16-6-4-14(20)12-18(16)29(24,25)22-9-3-8-21(10-11-22)13-15-5-7-17(28-15)19(23)27-2/h4-7,12H,3,8-11,13H2,1-2H3