[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO6S/c22-19(21-12-6-1-2-7-13-21)14-26-20(23)18-11-10-16(27-18)15-28(24,25)17-8-4-3-5-9-17/h3-5,8-11H,1-2,6-7,12-15H2