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

Systemtic Name: 2-bromanyl-3-(1,3-dioxan-2-yl)-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-bromo-3-(1,3-dioxan-2-yl)butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-2-bromo-3-(1,3-dioxan-2-yl)-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-bromo-3-(1,3-dioxan-2-yl)butan-1-one Traditional Name: 1-(1-besylpyrrol-3-yl)-2-bromo-3-(1,3-dioxan-2-yl)butan-1-one Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1OCCCO1)C(C(=O)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C1OCCCO1)C(C(=O)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C18H20BrNO5S/c1-13(18-24-10-5-11-25-18)16(19)17(21)14-8-9-20(12-14)26(22,23)15-6-3-2-4-7-15/h2-4,6-9,12-13,16,18H,5,10-11H2,1H3