4-[(2E)-2-[3-(tert-butylsulfamoyl)-8-(methylsulfonylamino)-4-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-[3-(tert-butylsulfamoyl)-8-(methylsulfonylamino)-4-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-[3-(tert-butylsulfamoyl)-8-(methanesulfonamido)-4-oxo-1-naphthylidene]hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-[3-(tert-butylsulfamoyl)-8-(methanesulfonamido)-4-oxo-1-naphthalenylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-[3-(tert-butylsulfamoyl)-8-(methanesulfonamido)-4-oxonaphthalen-1-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-[3-(tert-butylsulfamoyl)-4-keto-8-(methanesulfonamido)-1-naphthylidene]hydrazino]besylic acid Formula: C21H24N4O8S3 MolecularWeight: 556.63226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=NNC2=CC=C(C=C2)S(=O)(=O)O)C3=C(C1=O)C=CC=C3NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=C/C(=N\NC2=CC=C(C=C2)S(=O)(=O)O)/C3=C(C1=O)C=CC=C3NS(=O)(=O)C

InChI

InChI=1S/C21H24N4O8S3/c1-21(2,3)25-35(29,30)18-12-17(23-22-13-8-10-14(11-9-13)36(31,32)33)19-15(20(18)26)6-5-7-16(19)24-34(4,27)28/h5-12,22,24-25H,1-4H3,(H,31,32,33)/b23-17+