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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C2=CC=C(C=C2)COS(=O)(=O)C)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C2=CC=C(C=C2)COS(=O)(=O)C)C#N)C

InChI

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