(4-methylphenyl)sulfonyl 1H-pyrrole-2-carboxylate; pentanehydrazide

Systemtic Name: (4-methylphenyl)sulfonyl 1H-pyrrole-2-carboxylate; pentanehydrazide Openeye Name: pentanehydrazide; p-tolylsulfonyl 1H-pyrrole-2-carboxylate CAS Name: pentanehydrazide; 1H-pyrrole-2-carboxylic acid (4-methylphenyl)sulfonyl ester IUPAC Name: (4-methylphenyl)sulfonyl 1H-pyrrole-2-carboxylate; pentanehydrazide Traditional Name: 1H-pyrrole-2-carboxylic acid tosyl ester; valerohydrazide Formula: C17H23N3O5S MolecularWeight: 381.44662

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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=CN2

Isomeric SMILES

CCCCC(=O)NN.CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2=CC=CN2

InChI

InChI=1S/C12H11NO4S.C5H12N2O/c1-9-4-6-10(7-5-9)18(15,16)17-12(14)11-3-2-8-13-11;1-2-3-4-5(8)7-6/h2-8,13H,1H3;2-4,6H2,1H3,(H,7,8)