2-[(E)-[[5-[[1-[2-[[7-[3-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]propoxy]-3,4-dihydro-2H-chromen-2-yl]carbonylamino]ethoxy]-1-oxidanylidene-propan-2-yl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-[[5-[[1-[2-[[7-[3-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]propoxy]-3,4-dihydro-2H-chromen-2-yl]carbonylamino]ethoxy]-1-oxidanylidene-propan-2-yl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Openeye Name: 2-[(E)-[[5-[[2-[2-[[7-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]propoxy]chromane-2-carbonyl]amino]ethoxy]-1-methyl-2-oxo-ethyl]carbamoyl]-2-pyridyl]hydrazono]methyl]benzenesulfonic acid CAS Name: 2-[(E)-[[5-[[[1-[2-[[[7-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-3,4-dihydro-2H-1-benzopyran-2-yl]-oxomethyl]amino]ethoxy]-1-oxopropan-2-yl]amino]-oxomethyl]-2-pyridinyl]hydrazinylidene]methyl]benzenesulfonic acid IUPAC Name: 2-[(E)-[[5-[[1-[2-[[7-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-3,4-dihydro-2H-chromene-2-carbonyl]amino]ethoxy]-1-oxopropan-2-yl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Traditional Name: 2-[(E)-[[5-[[2-[2-[[7-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]propoxy]chroman-2-carbonyl]amino]ethoxy]-2-keto-1-methyl-ethyl]carbamoyl]-2-pyridyl]hydrazono]methyl]besylic acid Formula: C45H46FN5O11S MolecularWeight: 883.937043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCOC3=CC4=C(CCC(O4)C(=O)NCCOC(=O)C(C)NC(=O)C5=CN=C(C=C5)NN=CC6=CC=CC=C6S(=O)(=O)O)C=C3

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)O)OCCCOC3=CC4=C(CCC(O4)C(=O)NCCOC(=O)C(C)NC(=O)C5=CN=C(C=C5)N/N=C/C6=CC=CC=C6S(=O)(=O)O)C=C3

InChI

InChI=1S/C45H46FN5O11S/c1-3-29-23-36(30-9-14-34(46)15-10-30)37(52)25-39(29)60-21-6-20-59-35-16-11-31-12-17-38(62-40(31)24-35)44(54)47-19-22-61-45(55)28(2)50-43(53)33-13-18-42(48-26-33)51-49-27-32-7-4-5-8-41(32)63(56,57)58/h4-5,7-11,13-16,18,23-28,38,52H,3,6,12,17,19-22H2,1-2H3,(H,47,54)(H,48,51)(H,50,53)(H,56,57,58)/b49-27+