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

Systemtic Name: ethyl 4-[4-[(5-methyl-1,2-oxazol-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(5-methylisoxazole-3-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(5-methyl-3-isoxazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(5-methylisoxazole-3-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-3-26-18(23)14-4-6-15(7-5-14)28(24,25)21-10-8-20(9-11-21)17(22)16-12-13(2)27-19-16/h4-7,12H,3,8-11H2,1-2H3