ethyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3,5-dimethylisoxazole-4-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3,5-dimethylisoxazole-4-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C19H23N3O6S/c1-4-27-19(24)15-5-7-16(8-6-15)29(25,26)22-11-9-21(10-12-22)18(23)17-13(2)20-28-14(17)3/h5-8H,4,9-12H2,1-3H3