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

Systemtic Name: (3,5-dimethylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3,5-dimethylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (3,5-dimethylbenzyl) ester Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-15-10-16(2)12-17(11-15)14-25-20(22)18-6-5-7-19(13-18)26(23,24)21-8-3-4-9-21/h5-7,10-13H,3-4,8-9,14H2,1-2H3