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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2=CC=C(C=C2)COS(=O)(=O)C)C#N)Br

Isomeric SMILES

CC1=C(NC(=C1C2=CC=C(C=C2)COS(=O)(=O)C)C#N)Br

InChI

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