(3,5-dimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3,5-dimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3,5-dimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

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

InChI

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