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

Systemtic Name: methyl 5-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O5S/c1-25-19(22)18-9-8-17(26-18)14-20-10-5-11-21(13-12-20)27(23,24)15-16-6-3-2-4-7-16/h2-4,6-9H,5,10-15H2,1H3