3-(1,3-dioxan-2-yl)-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one

Systemtic Name: 3-(1,3-dioxan-2-yl)-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(1,3-dioxan-2-yl)butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-3-(1,3-dioxan-2-yl)-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(1,3-dioxan-2-yl)butan-1-one Traditional Name: 1-(1-besylpyrrol-3-yl)-3-(1,3-dioxan-2-yl)butan-1-one Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)C3OCCCO3

Isomeric SMILES

CC(CC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)C3OCCCO3

InChI

InChI=1S/C18H21NO5S/c1-14(18-23-10-5-11-24-18)12-17(20)15-8-9-19(13-15)25(21,22)16-6-3-2-4-7-16/h2-4,6-9,13-14,18H,5,10-12H2,1H3