[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 3-methyl-1,2-oxazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid [2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NOC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O6S/c1-14-11-16(27-19-14)18(23)26-12-17(22)20-7-9-21(10-8-20)28(24,25)13-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3