octyl 2-[[2-[(2Z)-2-[6-tert-butyl-3-(3-decoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]hydrazinyl]-5-methylsulfonyl-phenyl]carbonylsulfamoyl]benzoate

Systemtic Name: octyl 2-[[2-[(2Z)-2-[6-tert-butyl-3-(3-decoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]hydrazinyl]-5-methylsulfonyl-phenyl]carbonylsulfamoyl]benzoate Openeye Name: octyl 2-[[2-[(2Z)-2-[6-tert-butyl-3-(3-decoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]hydrazino]-5-methylsulfonyl-benzoyl]sulfamoyl]benzoate CAS Name: 2-[[[2-[(2Z)-2-[6-tert-butyl-3-(3-decoxyphenyl)-7-pyrazolo[5,1-c][1,2,4]triazolylidene]hydrazinyl]-5-methylsulfonylphenyl]-oxomethyl]sulfamoyl]benzoic acid octyl ester IUPAC Name: octyl 2-[[2-[(2Z)-2-[6-tert-butyl-3-(3-decoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]hydrazinyl]-5-methylsulfonylbenzoyl]sulfamoyl]benzoate Traditional Name: 2-[[2-[(N'Z)-N'-[6-tert-butyl-3-(3-decoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]hydrazino]-5-mesyl-benzoyl]sulfamoyl]benzoic acid octyl ester Formula: C47H63N7O8S2 MolecularWeight: 918.17522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC(=C1)C2=NN=C3N2N=C(C3=NNC4=C(C=C(C=C4)S(=O)(=O)C)C(=O)NS(=O)(=O)C5=CC=CC=C5C(=O)OCCCCCCCC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC(=C1)C2=NN=C\3N2N=C(/C3=N/NC4=C(C=C(C=C4)S(=O)(=O)C)C(=O)NS(=O)(=O)C5=CC=CC=C5C(=O)OCCCCCCCC)C(C)(C)C

InChI

InChI=1S/C47H63N7O8S2/c1-7-9-11-13-15-16-18-21-30-61-35-25-23-24-34(32-35)43-50-51-44-41(42(47(3,4)5)52-54(43)44)49-48-39-29-28-36(63(6,57)58)33-38(39)45(55)53-64(59,60)40-27-20-19-26-37(40)46(56)62-31-22-17-14-12-10-8-2/h19-20,23-29,32-33,48H,7-18,21-22,30-31H2,1-6H3,(H,53,55)/b49-41-