4-[[3-[hexadecyl(methyl)sulfamoyl]phenyl]sulfonylhydrazinylidene]-1-methyl-2-phenyl-quinoline-6-sulfonic acid

Systemtic Name: 4-[[3-[hexadecyl(methyl)sulfamoyl]phenyl]sulfonylhydrazinylidene]-1-methyl-2-phenyl-quinoline-6-sulfonic acid Openeye Name: 4-[[3-[hexadecyl(methyl)sulfamoyl]phenyl]sulfonylhydrazono]-1-methyl-2-phenyl-quinoline-6-sulfonic acid CAS Name: 4-[[3-[hexadecyl(methyl)sulfamoyl]phenyl]sulfonylhydrazinylidene]-1-methyl-2-phenyl-6-quinolinesulfonic acid IUPAC Name: 4-[[3-[hexadecyl(methyl)sulfamoyl]phenyl]sulfonylhydrazinylidene]-1-methyl-2-phenylquinoline-6-sulfonic acid Traditional Name: 4-[[3-[cetyl(methyl)sulfamoyl]phenyl]sulfonylhydrazono]-1-methyl-2-phenyl-quinoline-6-sulfonic acid Formula: C39H54N4O7S3 MolecularWeight: 787.06366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)NN=C2C=C(N(C3=C2C=C(C=C3)S(=O)(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)NN=C2C=C(N(C3=C2C=C(C=C3)S(=O)(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C39H54N4O7S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-42(2)52(46,47)34-25-21-24-33(29-34)51(44,45)41-40-37-31-39(32-22-18-17-19-23-32)43(3)38-27-26-35(30-36(37)38)53(48,49)50/h17-19,21-27,29-31,41H,4-16,20,28H2,1-3H3,(H,48,49,50)