2-[[2-[5-[6-[(6-oxidanylidene-3,5-diphenyl-1H-pyridin-2-yl)oxy]hexanoyl-[(4-sulfamoylphenyl)methyl]carbamoyl]pyridin-2-yl]hydrazinyl]methyl]benzenesulfonic acid

Systemtic Name: 2-[[2-[5-[6-[(6-oxidanylidene-3,5-diphenyl-1H-pyridin-2-yl)oxy]hexanoyl-[(4-sulfamoylphenyl)methyl]carbamoyl]pyridin-2-yl]hydrazinyl]methyl]benzenesulfonic acid Openeye Name: 2-[[2-[5-[6-[(6-oxo-3,5-diphenyl-1H-pyridin-2-yl)oxy]hexanoyl-[(4-sulfamoylphenyl)methyl]carbamoyl]-2-pyridyl]hydrazino]methyl]benzenesulfonic acid CAS Name: 2-[[[5-[oxo-[[1-oxo-6-[(6-oxo-3,5-diphenyl-1H-pyridin-2-yl)oxy]hexyl]-[(4-sulfamoylphenyl)methyl]amino]methyl]-2-pyridinyl]hydrazo]methyl]benzenesulfonic acid IUPAC Name: 2-[[2-[5-[6-[(6-oxo-3,5-diphenyl-1H-pyridin-2-yl)oxy]hexanoyl-[(4-sulfamoylphenyl)methyl]carbamoyl]pyridin-2-yl]hydrazinyl]methyl]benzenesulfonic acid Traditional Name: 2-[[N'-[5-[6-[(6-keto-3,5-diphenyl-1H-pyridin-2-yl)oxy]hexanoyl-(4-sulfamoylbenzyl)carbamoyl]-2-pyridyl]hydrazino]methyl]besylic acid Formula: C43H42N6O9S2 MolecularWeight: 850.95838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(NC2=O)OCCCCCC(=O)N(CC3=CC=C(C=C3)S(=O)(=O)N)C(=O)C4=CN=C(C=C4)NNCC5=CC=CC=C5S(=O)(=O)O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(NC2=O)OCCCCCC(=O)N(CC3=CC=C(C=C3)S(=O)(=O)N)C(=O)C4=CN=C(C=C4)NNCC5=CC=CC=C5S(=O)(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C43H42N6O9S2/c44-59(53,54)35-22-19-30(20-23-35)29-49(43(52)34-21-24-39(45-27-34)48-46-28-33-16-9-10-17-38(33)60(55,56)57)40(50)18-8-3-11-25-58-42-37(32-14-6-2-7-15-32)26-36(41(51)47-42)31-12-4-1-5-13-31/h1-2,4-7,9-10,12-17,19-24,26-27,46H,3,8,11,18,25,28-29H2,(H,45,48)(H,47,51)(H2,44,53,54)(H,55,56,57)