3-(1,3-dioxan-2-yl)-4,4-dimethoxy-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one

Systemtic Name: 3-(1,3-dioxan-2-yl)-4,4-dimethoxy-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(1,3-dioxan-2-yl)-4,4-dimethoxy-butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-3-(1,3-dioxan-2-yl)-4,4-dimethoxy-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(1,3-dioxan-2-yl)-4,4-dimethoxybutan-1-one Traditional Name: 1-(1-besylpyrrol-3-yl)-3-(1,3-dioxan-2-yl)-4,4-dimethoxy-butan-1-one Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO7S/c1-25-19(26-2)17(20-27-11-6-12-28-20)13-18(22)15-9-10-21(14-15)29(23,24)16-7-4-3-5-8-16/h3-5,7-10,14,17,19-20H,6,11-13H2,1-2H3