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

Systemtic Name: methyl 3-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(2-furylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[[4-(2-furfuryl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C16H20N2O5S2 MolecularWeight: 384.4704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C16H20N2O5S2/c1-22-16(19)15-14(5-11-24-15)25(20,21)18-7-3-6-17(8-9-18)12-13-4-2-10-23-13/h2,4-5,10-11H,3,6-9,12H2,1H3