methyl 10-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-10-oxidanylidene-decanoate

Systemtic Name: methyl 10-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-10-oxidanylidene-decanoate Openeye Name: methyl 10-oxo-10-[1-(p-tolylsulfonyl)pyrrol-2-yl]decanoate CAS Name: 10-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]-10-oxodecanoic acid methyl ester IUPAC Name: methyl 10-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-10-oxodecanoate Traditional Name: 10-keto-10-(1-tosylpyrrol-2-yl)capric acid methyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C(=O)CCCCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C(=O)CCCCCCCCC(=O)OC

InChI

InChI=1S/C22H29NO5S/c1-18-13-15-19(16-14-18)29(26,27)23-17-9-10-20(23)21(24)11-7-5-3-4-6-8-12-22(25)28-2/h9-10,13-17H,3-8,11-12H2,1-2H3