4-(2-hydroxyethyloxy)-7-methyl-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]oct-6-en-1-one

Systemtic Name: 4-(2-hydroxyethyloxy)-7-methyl-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]oct-6-en-1-one Openeye Name: 4-(2-hydroxyethoxy)-7-methyl-1-[1-(p-tolylsulfonyl)pyrrol-3-yl]oct-6-en-1-one CAS Name: 4-(2-hydroxyethoxy)-7-methyl-1-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-6-octen-1-one IUPAC Name: 4-(2-hydroxyethoxy)-7-methyl-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]oct-6-en-1-one Traditional Name: 4-(2-hydroxyethoxy)-7-methyl-1-(1-tosylpyrrol-3-yl)oct-6-en-1-one 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(=C2)C(=O)CCC(CC=C(C)C)OCCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)CCC(CC=C(C)C)OCCO

InChI

InChI=1S/C22H29NO5S/c1-17(2)4-7-20(28-15-14-24)8-11-22(25)19-12-13-23(16-19)29(26,27)21-9-5-18(3)6-10-21/h4-6,9-10,12-13,16,20,24H,7-8,11,14-15H2,1-3H3