[4-(2-bromanyl-5-cyano-3-methyl-pyrrol-1-yl)phenyl]methyl methanesulfonate

Systemtic Name: [4-(2-bromanyl-5-cyano-3-methyl-pyrrol-1-yl)phenyl]methyl methanesulfonate Openeye Name: [4-(2-bromo-5-cyano-3-methyl-pyrrol-1-yl)phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [4-(2-bromo-5-cyano-3-methyl-1-pyrrolyl)phenyl]methyl ester IUPAC Name: [4-(2-bromo-5-cyano-3-methylpyrrol-1-yl)phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [4-(2-bromo-5-cyano-3-methyl-pyrrol-1-yl)benzyl] ester Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)C#N)C2=CC=C(C=C2)COS(=O)(=O)C)Br

Isomeric SMILES

CC1=C(N(C(=C1)C#N)C2=CC=C(C=C2)COS(=O)(=O)C)Br

InChI

InChI=1S/C14H13BrN2O3S/c1-10-7-13(8-16)17(14(10)15)12-5-3-11(4-6-12)9-20-21(2,18)19/h3-7H,9H2,1-2H3