[2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3CCCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23NO6S/c1-16-18-11-5-6-13-21(18)30-22(16)20(25)15-29-23(26)19-12-7-8-14-24(19)31(27,28)17-9-3-2-4-10-17/h2-6,9-11,13,19H,7-8,12,14-15H2,1H3