[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H20N4O6S/c1-13-18(14(2)29-21-13)30(26,27)23-8-6-22(7-9-23)17(24)12-28-19(25)16-5-3-4-15(10-16)11-20/h3-5,10H,6-9,12H2,1-2H3