pentanehydrazide; pyridin-4-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: pentanehydrazide; pyridin-4-ylmethyl 4-methylbenzenesulfonate Openeye Name: pentanehydrazide; 4-pyridylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid pyridin-4-ylmethyl ester; pentanehydrazide IUPAC Name: pentanehydrazide; pyridin-4-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-pyridylmethyl ester; valerohydrazide Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NN.CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=NC=C2

Isomeric SMILES

CCCCC(=O)NN.CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=NC=C2

InChI

InChI=1S/C13H13NO3S.C5H12N2O/c1-11-2-4-13(5-3-11)18(15,16)17-10-12-6-8-14-9-7-12;1-2-3-4-5(8)7-6/h2-9H,10H2,1H3;2-4,6H2,1H3,(H,7,8)