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

Systemtic Name: 4,4-dimethoxy-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-4,4-dimethoxy-butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-4,4-dimethoxy-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-4,4-dimethoxybutan-1-one Traditional Name: 1-(1-besylpyrrol-3-yl)-4,4-dimethoxy-butan-1-one Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5S/c1-21-16(22-2)9-8-15(18)13-10-11-17(12-13)23(19,20)14-6-4-3-5-7-14/h3-7,10-12,16H,8-9H2,1-2H3