2-(4-fluorophenyl)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-quinoline-6-sulfonic acid

Systemtic Name: 2-(4-fluorophenyl)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-quinoline-6-sulfonic acid Openeye Name: 2-(4-fluorophenyl)-4-(hexadecylsulfonylhydrazono)-1-methyl-quinoline-6-sulfonic acid CAS Name: 2-(4-fluorophenyl)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-6-quinolinesulfonic acid IUPAC Name: 2-(4-fluorophenyl)-4-(hexadecylsulfonylhydrazinylidene)-1-methylquinoline-6-sulfonic acid Traditional Name: 4-(cetylsulfonylhydrazono)-2-(4-fluorophenyl)-1-methyl-quinoline-6-sulfonic acid Formula: C32H46FN3O5S2 MolecularWeight: 635.853143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NN=C1C=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NN=C1C=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C32H46FN3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-42(37,38)35-34-30-25-32(26-17-19-27(33)20-18-26)36(2)31-22-21-28(24-29(30)31)43(39,40)41/h17-22,24-25,35H,3-16,23H2,1-2H3,(H,39,40,41)