(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H23NO5S/c1-15-5-10-18(28(2,25)26)13-19(15)21(24)27-14-16-6-8-17(9-7-16)20(23)22-11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3