(2,6-dimethyl-3-oxidanylidene-1-pentanoyl-indol-2-yl) (4-methylphenyl) sulfite

Systemtic Name: (2,6-dimethyl-3-oxidanylidene-1-pentanoyl-indol-2-yl) (4-methylphenyl) sulfite Openeye Name: (2,6-dimethyl-3-oxo-1-pentanoyl-indolin-2-yl) p-tolyl sulfite CAS Name: sulfurous acid [2,6-dimethyl-3-oxo-1-(1-oxopentyl)-2-indolyl] (4-methylphenyl) ester IUPAC Name: (2,6-dimethyl-3-oxo-1-pentanoylindol-2-yl) (4-methylphenyl) sulfite Traditional Name: sulfurous acid (3-keto-2,6-dimethyl-1-valeryl-indolin-2-yl) p-tolyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C2=C(C=CC(=C2)C)C(=O)C1(C)OS(=O)OC3=CC=C(C=C3)C

Isomeric SMILES

CCCCC(=O)N1C2=C(C=CC(=C2)C)C(=O)C1(C)OS(=O)OC3=CC=C(C=C3)C

InChI

InChI=1S/C22H25NO5S/c1-5-6-7-20(24)23-19-14-16(3)10-13-18(19)21(25)22(23,4)28-29(26)27-17-11-8-15(2)9-12-17/h8-14H,5-7H2,1-4H3