2-[(E)-[[5-[[3-[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]carbonyl-3-(oxidanylcarbamoyl)piperidin-1-yl]-3-oxidanylidene-propyl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-[[5-[[3-[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]carbonyl-3-(oxidanylcarbamoyl)piperidin-1-yl]-3-oxidanylidene-propyl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Openeye Name: 2-[(E)-[[5-[[3-[3-(hydroxycarbamoyl)-4-[4-(p-tolylmethoxy)piperidine-1-carbonyl]-1-piperidyl]-3-oxo-propyl]carbamoyl]-2-pyridyl]hydrazono]methyl]benzenesulfonic acid CAS Name: 2-[(E)-[[5-[[[3-[3-[(hydroxyamino)-oxomethyl]-4-[[4-[(4-methylphenyl)methoxy]-1-piperidinyl]-oxomethyl]-1-piperidinyl]-3-oxopropyl]amino]-oxomethyl]-2-pyridinyl]hydrazinylidene]methyl]benzenesulfonic acid IUPAC Name: 2-[(E)-[[5-[[3-[3-(hydroxycarbamoyl)-4-[4-[(4-methylphenyl)methoxy]piperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Traditional Name: 2-[(E)-[[5-[[3-[3-(hydroxycarbamoyl)-4-[4-(4-methylbenzyl)oxypiperidine-1-carbonyl]piperidino]-3-keto-propyl]carbamoyl]-2-pyridyl]hydrazono]methyl]besylic acid Formula: C36H43N7O9S MolecularWeight: 749.83312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2CCN(CC2)C(=O)C3CCN(CC3C(=O)NO)C(=O)CCNC(=O)C4=CN=C(C=C4)NN=CC5=CC=CC=C5S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)COC2CCN(CC2)C(=O)C3CCN(CC3C(=O)NO)C(=O)CCNC(=O)C4=CN=C(C=C4)N/N=C/C5=CC=CC=C5S(=O)(=O)O

InChI

InChI=1S/C36H43N7O9S/c1-24-6-8-25(9-7-24)23-52-28-13-17-42(18-14-28)36(47)29-15-19-43(22-30(29)35(46)41-48)33(44)12-16-37-34(45)27-10-11-32(38-20-27)40-39-21-26-4-2-3-5-31(26)53(49,50)51/h2-11,20-21,28-30,48H,12-19,22-23H2,1H3,(H,37,45)(H,38,40)(H,41,46)(H,49,50,51)/b39-21+