(4-methylsulfonylphenyl) 2-(1-methylpyrrol-2-yl)butanoate

Systemtic Name: (4-methylsulfonylphenyl) 2-(1-methylpyrrol-2-yl)butanoate Openeye Name: (4-methylsulfonylphenyl) 2-(1-methylpyrrol-2-yl)butanoate CAS Name: 2-(1-methyl-2-pyrrolyl)butanoic acid (4-methylsulfonylphenyl) ester IUPAC Name: (4-methylsulfonylphenyl) 2-(1-methylpyrrol-2-yl)butanoate Traditional Name: 2-(1-methylpyrrol-2-yl)butyric acid (4-mesylphenyl) ester Formula: C16H19NO4S MolecularWeight: 321.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CN1C)C(=O)OC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C1=CC=CN1C)C(=O)OC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H19NO4S/c1-4-14(15-6-5-11-17(15)2)16(18)21-12-7-9-13(10-8-12)22(3,19)20/h5-11,14H,4H2,1-3H3