methyl 4-(1,4-diazepan-1-ylsulfonyl)-2,5-dimethyl-furan-3-carboxylate

Systemtic Name: methyl 4-(1,4-diazepan-1-ylsulfonyl)-2,5-dimethyl-furan-3-carboxylate Openeye Name: methyl 4-(1,4-diazepan-1-ylsulfonyl)-2,5-dimethyl-furan-3-carboxylate CAS Name: 4-(1,4-diazepan-1-ylsulfonyl)-2,5-dimethyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 4-(1,4-diazepan-1-ylsulfonyl)-2,5-dimethylfuran-3-carboxylate Traditional Name: 4-(1,4-diazepan-1-ylsulfonyl)-2,5-dimethyl-furan-3-carboxylic acid methyl ester Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCCNCC2)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCCNCC2)C(=O)OC

InChI

InChI=1S/C13H20N2O5S/c1-9-11(13(16)19-3)12(10(2)20-9)21(17,18)15-7-4-5-14-6-8-15/h14H,4-8H2,1-3H3