1-[4-(furan-3-yl)phenyl]-2,3-dimethyl-5-(4-methylsulfonylphenyl)pyrrole; 3-methyl-1-(4-methylsulfonylphenyl)pentane-1,4-dione

Systemtic Name: 1-[4-(furan-3-yl)phenyl]-2,3-dimethyl-5-(4-methylsulfonylphenyl)pyrrole; 3-methyl-1-(4-methylsulfonylphenyl)pentane-1,4-dione Openeye Name: 1-[4-(3-furyl)phenyl]-2,3-dimethyl-5-(4-methylsulfonylphenyl)pyrrole; 3-methyl-1-(4-methylsulfonylphenyl)pentane-1,4-dione CAS Name: 1-[4-(3-furanyl)phenyl]-2,3-dimethyl-5-(4-methylsulfonylphenyl)pyrrole; 3-methyl-1-(4-methylsulfonylphenyl)pentane-1,4-dione IUPAC Name: 1-[4-(furan-3-yl)phenyl]-2,3-dimethyl-5-(4-methylsulfonylphenyl)pyrrole; 3-methyl-1-(4-methylsulfonylphenyl)pentane-1,4-dione Traditional Name: 1-[4-(3-furyl)phenyl]-5-(4-mesylphenyl)-2,3-dimethyl-pyrrole; 1-(4-mesylphenyl)-3-methyl-pentane-1,4-dione Formula: C36H37NO7S2 MolecularWeight: 659.81148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C4=COC=C4)C.CC(CC(=O)C1=CC=C(C=C1)S(=O)(=O)C)C(=O)C

Isomeric SMILES

CC1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C4=COC=C4)C.CC(CC(=O)C1=CC=C(C=C1)S(=O)(=O)C)C(=O)C

InChI

InChI=1S/C23H21NO3S.C13H16O4S/c1-16-14-23(19-6-10-22(11-7-19)28(3,25)26)24(17(16)2)21-8-4-18(5-9-21)20-12-13-27-15-20;1-9(10(2)14)8-13(15)11-4-6-12(7-5-11)18(3,16)17/h4-15H,1-3H3;4-7,9H,8H2,1-3H3