[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3,5-dimethylisoxazole-4-carboxylate CAS Name: 3,5-dimethyl-4-isoxazolecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Traditional Name: 3,5-dimethylisoxazole-4-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O6S/c1-13-17(14(2)27-19-13)18(23)26-12-16(22)20-8-10-21(11-9-20)28(24,25)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3