1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(4-methylsulfonylphenoxy)ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylsulfonylphenoxy)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-mesylphenoxy)ethanone Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H21NO4S/c1-5-10-19-13(2)11-17(14(19)3)18(20)12-23-15-6-8-16(9-7-15)24(4,21)22/h5-9,11H,1,10,12H2,2-4H3