5-azanyl-2-(4-hexadecylsulfonylphenyl)-4H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-(4-hexadecylsulfonylphenyl)-4H-pyrazol-3-one Openeye Name: 5-amino-2-(4-hexadecylsulfonylphenyl)-4H-pyrazol-3-one CAS Name: 5-amino-2-(4-hexadecylsulfonylphenyl)-4H-pyrazol-3-one IUPAC Name: 5-amino-2-(4-hexadecylsulfonylphenyl)-4H-pyrazol-3-one Traditional Name: 5-amino-2-(4-cetylsulfonylphenyl)-2-pyrazolin-3-one Formula: C25H41N3O3S MolecularWeight: 463.67634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)N

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)N

InChI

InChI=1S/C25H41N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-32(30,31)23-18-16-22(17-19-23)28-25(29)21-24(26)27-28/h16-19H,2-15,20-21H2,1H3,(H2,26,27)