1-[5-methylsulfonyl-1-(phenylmethyl)pyrrol-2-yl]ethanone

Systemtic Name: 1-[5-methylsulfonyl-1-(phenylmethyl)pyrrol-2-yl]ethanone Openeye Name: 1-(1-benzyl-5-methylsulfonyl-pyrrol-2-yl)ethanone CAS Name: 1-[5-methylsulfonyl-1-(phenylmethyl)-2-pyrrolyl]ethanone IUPAC Name: 1-(1-benzyl-5-methylsulfonylpyrrol-2-yl)ethanone Traditional Name: 1-(1-benzyl-5-mesyl-pyrrol-2-yl)ethanone Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(N1CC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(N1CC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C14H15NO3S/c1-11(16)13-8-9-14(19(2,17)18)15(13)10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3