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

Systemtic Name: [4-(3-chloranyl-5-cyano-2-methyl-pyrrol-1-yl)phenyl]methyl methanesulfonate Openeye Name: [4-(3-chloro-5-cyano-2-methyl-pyrrol-1-yl)phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [4-(3-chloro-5-cyano-2-methyl-1-pyrrolyl)phenyl]methyl ester IUPAC Name: [4-(3-chloro-5-cyano-2-methylpyrrol-1-yl)phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [4-(3-chloro-5-cyano-2-methyl-pyrrol-1-yl)benzyl] ester Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=C(C=C2)COS(=O)(=O)C)C#N)Cl

Isomeric SMILES

CC1=C(C=C(N1C2=CC=C(C=C2)COS(=O)(=O)C)C#N)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-10-14(15)7-13(8-16)17(10)12-5-3-11(4-6-12)9-20-21(2,18)19/h3-7H,9H2,1-2H3