(2,3,6-trimethylphenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2,3,6-trimethylphenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-14-7-8-15(2)20(16(14)3)27-21(23)17-9-10-18(26-4)19(13-17)28(24,25)22-11-5-6-12-22/h7-10,13H,5-6,11-12H2,1-4H3