methyl 4-[(E)-[(5-piperidin-1-ylsulfonylpyridin-2-yl)hydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[(5-piperidin-1-ylsulfonylpyridin-2-yl)hydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[[5-(1-piperidylsulfonyl)-2-pyridyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[(5-piperidin-1-ylsulfonylpyridin-2-yl)hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[(5-piperidinosulfonyl-2-pyridyl)hydrazono]methyl]benzoic acid methyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N4O4S/c1-27-19(24)16-7-5-15(6-8-16)13-21-22-18-10-9-17(14-20-18)28(25,26)23-11-3-2-4-12-23/h5-10,13-14H,2-4,11-12H2,1H3,(H,20,22)/b21-13+