(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-methylsulfonylbenzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H21NO5S/c1-27(24,25)18-6-4-5-17(13-18)20(23)26-14-15-7-9-16(10-8-15)19(22)21-11-2-3-12-21/h4-10,13H,2-3,11-12,14H2,1H3