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

Systemtic Name: 4,4-dimethoxy-3-methyl-2-phenylsulfanyl-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-4,4-dimethoxy-3-methyl-2-phenylsulfanyl-butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-4,4-dimethoxy-3-methyl-2-(phenylthio)-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-4,4-dimethoxy-3-methyl-2-phenylsulfanylbutan-1-one Traditional Name: 1-(1-besylpyrrol-3-yl)-4,4-dimethoxy-3-methyl-2-(phenylthio)butan-1-one Formula: C23H25NO5S2 MolecularWeight: 459.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)SC3=CC=CC=C3)C(OC)OC

Isomeric SMILES

CC(C(C(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)SC3=CC=CC=C3)C(OC)OC

InChI

InChI=1S/C23H25NO5S2/c1-17(23(28-2)29-3)22(30-19-10-6-4-7-11-19)21(25)18-14-15-24(16-18)31(26,27)20-12-8-5-9-13-20/h4-17,22-23H,1-3H3