[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O6S/c1-16-6-8-18(9-7-16)31(27,28)24-12-10-23(11-13-24)21(25)15-29-22(26)20-14-17-4-2-3-5-19(17)30-20/h2-9,14H,10-13,15H2,1H3