SODIUM 2-({1-[4-(HEXADECANE-1-SULFONYL)PHENYL]-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-3-YL}CARBAMOYL)BENZENE-1-SULFONATE | CAS 2453-66-9

Catalog Id:
MM2453669

IUPAC:
SODIUM2-[[1-(4-HEXADECYLSULFONYLPHENYL)-5-OXO-4H-PYRAZOL-3-YL]CARBAMOYL]BENZENESULFONATE

CAS Number:
2453-66-9

Molecular Weight:
669.83

Formula:
C32H44N3NaO7S2

SMILES:
[Na+].CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)N1N=C(CC1=O)NC(=O)C1=C(C=CC=C1)S([O-])(=O)=O

Preferred IUPAC Name:
SODIUM 2-({1-[4-(HEXADECANE-1-SULFONYL)PHENYL]-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-3-YL}CARBAMOYL)BENZENE-1-SULFONATE

InChIKey:
InChIKey=IILPLSBWKCCTFN-UHFFFAOYSA-M

Categories:
Aliphatic Cyclic Structures, Aliphatic Heterocycles, Aromatic Heterocycles, Heterocyclic Compounds, Aromatic Cyclic Structures, Amides, Hydrazones, Amidines