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

Systemtic Name: methyl 5-[[4-(2-methoxycarbonylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-methoxycarbonylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2-methoxycarbonylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-methoxycarbonylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-carbomethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C20H24N2O7S/c1-27-19(23)16-6-3-4-7-18(16)30(25,26)22-11-5-10-21(12-13-22)14-15-8-9-17(29-15)20(24)28-2/h3-4,6-9H,5,10-14H2,1-2H3