[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 2-methylfuran-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 2-methylfuran-3-carboxylate Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CO1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O6S/c1-15-17(7-12-26-15)19(23)27-13-18(22)20-8-10-21(11-9-20)28(24,25)14-16-5-3-2-4-6-16/h2-7,12H,8-11,13-14H2,1H3