methyl 5-[(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(8-quinolinylsulfonyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H23N3O5S/c1-28-21(25)18-9-8-17(29-18)15-23-11-4-12-24(14-13-23)30(26,27)19-7-2-5-16-6-3-10-22-20(16)19/h2-3,5-10H,4,11-15H2,1H3