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

Systemtic Name: [4-(2-cyano-4,5-dimethyl-1H-pyrrol-3-yl)phenyl]methyl methanesulfonate Openeye Name: [4-(2-cyano-4,5-dimethyl-1H-pyrrol-3-yl)phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [4-(2-cyano-4,5-dimethyl-1H-pyrrol-3-yl)phenyl]methyl ester IUPAC Name: [4-(2-cyano-4,5-dimethyl-1H-pyrrol-3-yl)phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [4-(2-cyano-4,5-dimethyl-1H-pyrrol-3-yl)benzyl] ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S/c1-10-11(2)17-14(8-16)15(10)13-6-4-12(5-7-13)9-20-21(3,18)19/h4-7,17H,9H2,1-3H3