methyl 5-[[4-(2-methoxycarbonylthiophen-3-yl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2-methoxycarbonylthiophen-3-yl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-methoxycarbonyl-3-thienyl)sulfonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(2-methoxycarbonyl-3-thiophenyl)sulfonyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-methoxycarbonylthiophen-3-yl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(2-carbomethoxy-3-thienyl)sulfonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H22N2O7S2 MolecularWeight: 442.50648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C18H22N2O7S2/c1-25-17(21)14-5-4-13(27-14)12-19-7-3-8-20(10-9-19)29(23,24)15-6-11-28-16(15)18(22)26-2/h4-6,11H,3,7-10,12H2,1-2H3