N'-[2-(2,6-dimethylphenoxy)ethanoyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carbohydrazide

Systemtic Name: N'-[2-(2,6-dimethylphenoxy)ethanoyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carbohydrazide Openeye Name: N'-[2-(2,6-dimethylphenoxy)acetyl]-1-(3-pyridylsulfonyl)piperidine-4-carbohydrazide CAS Name: N'-[2-(2,6-dimethylphenoxy)-1-oxoethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarbohydrazide IUPAC Name: N'-[2-(2,6-dimethylphenoxy)acetyl]-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide Traditional Name: N'-[2-(2,6-dimethylphenoxy)acetyl]-1-(3-pyridylsulfonyl)isonipecotohydrazide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H26N4O5S/c1-15-5-3-6-16(2)20(15)30-14-19(26)23-24-21(27)17-8-11-25(12-9-17)31(28,29)18-7-4-10-22-13-18/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H,23,26)(H,24,27)