(3,4-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3,4-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3,4-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (3,4-dimethylphenyl) ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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