(6-chloranyl-2-methyl-3-oxidanylidene-1-pentanoyl-indol-2-yl) (4-methylphenyl) sulfite

Systemtic Name: (6-chloranyl-2-methyl-3-oxidanylidene-1-pentanoyl-indol-2-yl) (4-methylphenyl) sulfite Openeye Name: (6-chloro-2-methyl-3-oxo-1-pentanoyl-indolin-2-yl) p-tolyl sulfite CAS Name: sulfurous acid [6-chloro-2-methyl-3-oxo-1-(1-oxopentyl)-2-indolyl] (4-methylphenyl) ester IUPAC Name: (6-chloro-2-methyl-3-oxo-1-pentanoylindol-2-yl) (4-methylphenyl) sulfite Traditional Name: sulfurous acid (6-chloro-3-keto-2-methyl-1-valeryl-indolin-2-yl) p-tolyl ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5S/c1-4-5-6-19(24)23-18-13-15(22)9-12-17(18)20(25)21(23,3)28-29(26)27-16-10-7-14(2)8-11-16/h7-13H,4-6H2,1-3H3