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

Systemtic Name: [4-(2-cyano-1-ethyl-5-methyl-pyrrol-3-yl)phenyl]methyl methanesulfonate Openeye Name: [4-(2-cyano-1-ethyl-5-methyl-pyrrol-3-yl)phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [4-(2-cyano-1-ethyl-5-methyl-3-pyrrolyl)phenyl]methyl ester IUPAC Name: [4-(2-cyano-1-ethyl-5-methylpyrrol-3-yl)phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [4-(2-cyano-1-ethyl-5-methyl-pyrrol-3-yl)benzyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C#N)C2=CC=C(C=C2)COS(=O)(=O)C)C

Isomeric SMILES

CCN1C(=CC(=C1C#N)C2=CC=C(C=C2)COS(=O)(=O)C)C

InChI

InChI=1S/C16H18N2O3S/c1-4-18-12(2)9-15(16(18)10-17)14-7-5-13(6-8-14)11-21-22(3,19)20/h5-9H,4,11H2,1-3H3