ethyl 5-[4-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[4-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[4-(2-morpholino-2-oxo-acetyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate CAS Name: 5-[[4-[2-(4-morpholinyl)-1,2-dioxoethyl]-1-piperazinyl]sulfonyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate Traditional Name: 5-[4-(2-keto-2-morpholino-acetyl)piperazino]sulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C16H23N5O7S MolecularWeight: 429.44812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(=O)N3CCOCC3

InChI

InChI=1S/C16H23N5O7S/c1-2-28-16(24)12-11-17-18-13(12)29(25,26)21-5-3-19(4-6-21)14(22)15(23)20-7-9-27-10-8-20/h11H,2-10H2,1H3,(H,17,18)