(3,5-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3,5-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3,5-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (3,5-dimethylphenyl) ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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