(4-pyrrolidin-1-ylcarbonylphenyl) 2,5-dimethylbenzenesulfonate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl) 2,5-dimethylbenzenesulfonate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl] ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(pyrrolidine-1-carbonyl)phenyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C19H21NO4S/c1-14-5-6-15(2)18(13-14)25(22,23)24-17-9-7-16(8-10-17)19(21)20-11-3-4-12-20/h5-10,13H,3-4,11-12H2,1-2H3