(2,3,6-trimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2,3,6-trimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2,3,6-trimethylphenyl) ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-14-9-10-15(2)19(16(14)3)25-20(22)17-7-6-8-18(13-17)26(23,24)21-11-4-5-12-21/h6-10,13H,4-5,11-12H2,1-3H3