2-[4-(bromomethyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]ethanenitrile

Systemtic Name: 2-[4-(bromomethyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]ethanenitrile Openeye Name: 2-[4-(bromomethyl)-1-(p-tolylsulfonyl)-2,5-dihydropyrrol-3-yl]acetonitrile CAS Name: 2-[4-(bromomethyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]acetonitrile IUPAC Name: 2-[4-(bromomethyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]acetonitrile Traditional Name: 2-[4-(bromomethyl)-1-tosyl-3-pyrrolin-3-yl]acetonitrile Formula: C14H15BrN2O2S MolecularWeight: 355.2501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C(C2)CBr)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C(C2)CBr)CC#N

InChI

InChI=1S/C14H15BrN2O2S/c1-11-2-4-14(5-3-11)20(18,19)17-9-12(6-7-16)13(8-15)10-17/h2-5H,6,8-10H2,1H3