(2,3,6-trimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2,3,6-trimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

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

InChI

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