(2,5-dimethylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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