4,4-bis(2-hydroxyethyloxy)-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]butan-1-one

Systemtic Name: 4,4-bis(2-hydroxyethyloxy)-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]butan-1-one Openeye Name: 4,4-bis(2-hydroxyethoxy)-1-[1-(p-tolylsulfonyl)pyrrol-3-yl]butan-1-one CAS Name: 4,4-bis(2-hydroxyethoxy)-1-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-1-butanone IUPAC Name: 4,4-bis(2-hydroxyethoxy)-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]butan-1-one Traditional Name: 4,4-bis(2-hydroxyethoxy)-1-(1-tosylpyrrol-3-yl)butan-1-one Formula: C19H25NO7S MolecularWeight: 411.4693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO7S/c1-15-2-4-17(5-3-15)28(24,25)20-9-8-16(14-20)18(23)6-7-19(26-12-10-21)27-13-11-22/h2-5,8-9,14,19,21-22H,6-7,10-13H2,1H3