(3,4-dimethylphenyl) 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,4-dimethylphenyl) 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3,4-dimethylphenyl) 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid (3,4-dimethylphenyl) ester Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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