3-carboxy-5-oxidanylidene-1-[4-[pentyl(sulfinato)amino]phenyl]-4H-pyrazole

Systemtic Name: 3-carboxy-5-oxidanylidene-1-[4-[pentyl(sulfinato)amino]phenyl]-4H-pyrazole Openeye Name: 3-carboxy-5-oxo-1-[4-[pentyl(sulfinato)amino]phenyl]-4H-pyrazole CAS Name: 3-carboxy-5-oxo-1-[4-[pentyl(sulfinato)amino]phenyl]-4H-pyrazole IUPAC Name: 3-carboxy-5-oxo-1-[4-[pentyl(sulfinato)amino]phenyl]-4H-pyrazole Traditional Name: 1-[4-[amyl(sulfinato)amino]phenyl]-3-carboxy-5-keto-2-pyrazoline Formula: C15H18N3O5S- MolecularWeight: 352.38552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=CC=C(C=C1)N2C(=O)CC(=N2)C(=O)O)S(=O)[O-]

Isomeric SMILES

CCCCCN(C1=CC=C(C=C1)N2C(=O)CC(=N2)C(=O)O)S(=O)[O-]

InChI

InChI=1S/C15H19N3O5S/c1-2-3-4-9-17(24(22)23)11-5-7-12(8-6-11)18-14(19)10-13(16-18)15(20)21/h5-8H,2-4,9-10H2,1H3,(H,20,21)(H,22,23)/p-1