N-[3-(2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)phenyl]hexadecane-1-sulfonamide

Systemtic Name: N-[3-(2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)phenyl]hexadecane-1-sulfonamide Openeye Name: N-[3-(2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)phenyl]hexadecane-1-sulfonamide CAS Name: N-[3-(2-methyl-5-oxo-1-phenyl-3-pyrazolyl)phenyl]-1-hexadecanesulfonamide IUPAC Name: N-[3-(2-methyl-5-oxo-1-phenylpyrazol-3-yl)phenyl]hexadecane-1-sulfonamide Traditional Name: N-[3-(5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)phenyl]hexadecane-1-sulfonamide Formula: C32H47N3O3S MolecularWeight: 553.79888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=CC(=C1)C2=CC(=O)N(N2C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=CC(=C1)C2=CC(=O)N(N2C)C3=CC=CC=C3

InChI

InChI=1S/C32H47N3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-39(37,38)33-29-22-20-21-28(26-29)31-27-32(36)35(34(31)2)30-23-17-16-18-24-30/h16-18,20-24,26-27,33H,3-15,19,25H2,1-2H3