3-(2-hydroxyethyloxycarbonyl)-5-oxidanylidene-1-[4-[pentyl(sulfinato)amino]phenyl]-4H-pyrazole

Systemtic Name: 3-(2-hydroxyethyloxycarbonyl)-5-oxidanylidene-1-[4-[pentyl(sulfinato)amino]phenyl]-4H-pyrazole Openeye Name: 3-(2-hydroxyethoxycarbonyl)-5-oxo-1-[4-[pentyl(sulfinato)amino]phenyl]-4H-pyrazole CAS Name: 3-[2-hydroxyethoxy(oxo)methyl]-5-oxo-1-[4-[pentyl(sulfinato)amino]phenyl]-4H-pyrazole IUPAC Name: 3-(2-hydroxyethoxycarbonyl)-5-oxo-1-[4-[pentyl(sulfinato)amino]phenyl]-4H-pyrazole Traditional Name: 1-[4-[amyl(sulfinato)amino]phenyl]-3-(2-hydroxyethoxycarbonyl)-5-keto-2-pyrazoline Formula: C17H22N3O6S- MolecularWeight: 396.43808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6S/c1-2-3-4-9-19(27(24)25)13-5-7-14(8-6-13)20-16(22)12-15(18-20)17(23)26-11-10-21/h5-8,21H,2-4,9-12H2,1H3,(H,24,25)/p-1