(4-methylphenyl)sulfonyl pyridine-4-carboxylate; pentanehydrazide

Systemtic Name: (4-methylphenyl)sulfonyl pyridine-4-carboxylate; pentanehydrazide Openeye Name: pentanehydrazide; p-tolylsulfonyl pyridine-4-carboxylate CAS Name: pentanehydrazide; 4-pyridinecarboxylic acid (4-methylphenyl)sulfonyl ester IUPAC Name: (4-methylphenyl)sulfonyl pyridine-4-carboxylate; pentanehydrazide Traditional Name: isonicotinic acid tosyl ester; valerohydrazide Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NN.CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2=CC=NC=C2

Isomeric SMILES

CCCCC(=O)NN.CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H11NO4S.C5H12N2O/c1-10-2-4-12(5-3-10)19(16,17)18-13(15)11-6-8-14-9-7-11;1-2-3-4-5(8)7-6/h2-9H,1H3;2-4,6H2,1H3,(H,7,8)