methyl 5-[[4-[2-[methyl(phenylsulfonyl)amino]ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-[methyl(phenylsulfonyl)amino]ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-[benzenesulfonyl(methyl)amino]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2-[benzenesulfonyl(methyl)amino]-1-oxoethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-[benzenesulfonyl(methyl)amino]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-[besyl(methyl)amino]acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O6S/c1-22(31(27,28)18-7-4-3-5-8-18)16-20(25)24-12-6-11-23(13-14-24)15-17-9-10-19(30-17)21(26)29-2/h3-5,7-10H,6,11-16H2,1-2H3