ethyl 3-[(4E)-5-acetamido-4-[(4-piperidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazol-3-yl]iminobutanoate

Systemtic Name: ethyl 3-[(4E)-5-acetamido-4-[(4-piperidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazol-3-yl]iminobutanoate Openeye Name: ethyl 3-[(4E)-5-acetamido-4-[[4-(1-piperidylsulfonyl)phenyl]hydrazono]pyrazol-3-yl]iminobutanoate CAS Name: 3-[[(4E)-5-acetamido-4-[[4-(1-piperidinylsulfonyl)phenyl]hydrazinylidene]-3-pyrazolyl]imino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[(4E)-5-acetamido-4-[(4-piperidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazol-3-yl]iminobutanoate Traditional Name: 3-[(4E)-5-acetamido-4-[(4-piperidinosulfonylphenyl)hydrazono]pyrazol-3-yl]iminobutyric acid ethyl ester Formula: C22H29N7O5S MolecularWeight: 503.57456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=NC1=NN=C(C1=NNC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C)C

Isomeric SMILES

CCOC(=O)CC(=NC\1=NN=C(/C1=N\NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C)C

InChI

InChI=1S/C22H29N7O5S/c1-4-34-19(31)14-15(2)23-21-20(22(28-27-21)24-16(3)30)26-25-17-8-10-18(11-9-17)35(32,33)29-12-6-5-7-13-29/h8-11,25H,4-7,12-14H2,1-3H3,(H,24,26,28,30)