N-[3-[4-[(4-methylphenyl)methyl]-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]phenyl]hexadecane-1-sulfonamide

Systemtic Name: N-[3-[4-[(4-methylphenyl)methyl]-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]phenyl]hexadecane-1-sulfonamide Openeye Name: N-[3-[5-oxo-1-phenyl-4-(p-tolylmethyl)-4H-pyrazol-3-yl]phenyl]hexadecane-1-sulfonamide CAS Name: N-[3-[4-[(4-methylphenyl)methyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]phenyl]-1-hexadecanesulfonamide IUPAC Name: N-[3-[4-[(4-methylphenyl)methyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]phenyl]hexadecane-1-sulfonamide Traditional Name: N-[3-[5-keto-4-(4-methylbenzyl)-1-phenyl-2-pyrazolin-3-yl]phenyl]hexadecane-1-sulfonamide Formula: C39H53N3O3S MolecularWeight: 643.92142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(=O)C2CC3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(=O)C2CC3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C39H53N3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-29-46(44,45)41-35-22-20-21-34(31-35)38-37(30-33-27-25-32(2)26-28-33)39(43)42(40-38)36-23-17-16-18-24-36/h16-18,20-28,31,37,41H,3-15,19,29-30H2,1-2H3