5-azanyl-2-[4-(2-hexyldecylsulfonyl)phenyl]-4H-pyrazol-3-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)N

Isomeric SMILES

CCCCCCCCC(CCCCCC)CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)CC(=N2)N

InChI

InChI=1S/C25H41N3O3S/c1-3-5-7-9-10-12-14-21(13-11-8-6-4-2)20-32(30,31)23-17-15-22(16-18-23)28-25(29)19-24(26)27-28/h15-18,21H,3-14,19-20H2,1-2H3,(H2,26,27)