N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[[3-[[(6E)-6-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalen-1-yl]sulfamoyl]phenyl]sulfonylamino]-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[[3-[[(6E)-6-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalen-1-yl]sulfamoyl]phenyl]sulfonylamino]-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[3-[[(6E)-6-[(2-methylsulfonyl-4-nitro-phenyl)hydrazono]-5-oxo-1-naphthyl]sulfamoyl]phenyl]sulfonylamino]naphthalene-2-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[[3-[[(6E)-6-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxo-1-naphthalenyl]sulfamoyl]phenyl]sulfonylamino]-2-naphthalenecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[[3-[[(6E)-6-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxonaphthalen-1-yl]sulfamoyl]phenyl]sulfonylamino]naphthalene-2-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-1-hydroxy-4-[[3-[[(6E)-5-keto-6-[(2-mesyl-4-nitro-phenyl)hydrazono]-1-naphthyl]sulfamoyl]phenyl]sulfonylamino]-2-naphthamide Formula: C54H58N6O12S3 MolecularWeight: 1079.26632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)NC5=CC=CC6=C5C=CC(=NNC7=C(C=C(C=C7)[N+](=O)[O-])S(=O)(=O)C)C6=O)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)NC5=CC=CC6=C5C=C/C(=N\NC7=C(C=C(C=C7)[N+](=O)[O-])S(=O)(=O)C)/C6=O)O)C(C)(C)CC

InChI

InChI=1S/C54H58N6O12S3/c1-8-53(3,4)34-22-27-48(43(30-34)54(5,6)9-2)72-29-13-12-28-55-52(63)42-33-47(38-18-10-11-19-40(38)50(42)61)59-75(70,71)37-17-14-16-36(32-37)74(68,69)58-44-21-15-20-41-39(44)24-26-46(51(41)62)57-56-45-25-23-35(60(64)65)31-49(45)73(7,66)67/h10-11,14-27,30-33,56,58-59,61H,8-9,12-13,28-29H2,1-7H3,(H,55,63)/b57-46+