4,4-bis(2-hydroxyethyloxy)-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one

Systemtic Name: 4,4-bis(2-hydroxyethyloxy)-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-4,4-bis(2-hydroxyethoxy)butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-4,4-bis(2-hydroxyethoxy)-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-4,4-bis(2-hydroxyethoxy)butan-1-one Traditional Name: 1-(1-besylpyrrol-3-yl)-4,4-bis(2-hydroxyethoxy)butan-1-one Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO7S/c20-10-12-25-18(26-13-11-21)7-6-17(22)15-8-9-19(14-15)27(23,24)16-4-2-1-3-5-16/h1-5,8-9,14,18,20-21H,6-7,10-13H2