4-methylbenzenesulfonic acid; 2-[4-methyl-2-[2-oxidanylidene-2-(2-pentanoylhydrazinyl)ethyl]-1,2,4-triazolidin-1-yl]-N-oxidanyl-5-phenyl-2-(phenylmethyl)pentanamide

Systemtic Name: 4-methylbenzenesulfonic acid; 2-[4-methyl-2-[2-oxidanylidene-2-(2-pentanoylhydrazinyl)ethyl]-1,2,4-triazolidin-1-yl]-N-oxidanyl-5-phenyl-2-(phenylmethyl)pentanamide Openeye Name: 2-benzyl-2-[4-methyl-2-[2-oxo-2-(2-pentanoylhydrazino)ethyl]-1,2,4-triazolidin-1-yl]-5-phenyl-pentanehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: N-hydroxy-2-[4-methyl-2-[2-oxo-2-(1-oxopentylhydrazo)ethyl]-1,2,4-triazolidin-1-yl]-5-phenyl-2-(phenylmethyl)pentanamide; 4-methylbenzenesulfonic acid IUPAC Name: 2-benzyl-N-hydroxy-2-[4-methyl-2-[2-oxo-2-(2-pentanoylhydrazinyl)ethyl]-1,2,4-triazolidin-1-yl]-5-phenylpentanamide; 4-methylbenzenesulfonic acid Traditional Name: 2-benzyl-2-[2-[2-keto-2-(N'-valerylhydrazino)ethyl]-4-methyl-1,2,4-triazolidin-1-yl]-5-phenyl-pentanehydroxamic acid; tosylic acid Formula: C35H48N6O7S MolecularWeight: 696.85662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NNC(=O)CN1CN(CN1C(CCCC2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)NO)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC(=O)NNC(=O)CN1CN(CN1C(CCCC2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)NO)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C28H40N6O4.C7H8O3S/c1-3-4-17-25(35)29-30-26(36)20-33-21-32(2)22-34(33)28(27(37)31-38,19-24-14-9-6-10-15-24)18-11-16-23-12-7-5-8-13-23;1-6-2-4-7(5-3-6)11(8,9)10/h5-10,12-15,38H,3-4,11,16-22H2,1-2H3,(H,29,35)(H,30,36)(H,31,37);2-5H,1H3,(H,8,9,10)