methyl 5-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C16H20N2O5S2 MolecularWeight: 384.4704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

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