3-[3-[4-(hexadecanoylamino)phenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 3-[3-[4-(hexadecanoylamino)phenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 3-[3-[4-(hexadecanoylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 3-[5-oxo-3-[4-(1-oxohexadecylamino)phenyl]-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 3-[3-[4-(hexadecanoylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 3-[5-keto-3-(4-palmitamidophenyl)-2-pyrazolin-1-yl]besylic acid Formula: C31H43N3O5S MolecularWeight: 569.75522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=NN(C(=O)C2)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=NN(C(=O)C2)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C31H43N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-30(35)32-26-21-19-25(20-22-26)29-24-31(36)34(33-29)27-16-15-17-28(23-27)40(37,38)39/h15-17,19-23H,2-14,18,24H2,1H3,(H,32,35)(H,37,38,39)