(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-methylsulfonylbenzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-methylsulfonylbenzoate Traditional Name: 2-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=C1C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H21NO5S/c1-27(24,25)18-7-3-2-6-17(18)20(23)26-14-15-8-10-16(11-9-15)19(22)21-12-4-5-13-21/h2-3,6-11H,4-5,12-14H2,1H3