(2,5-dimethylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2,5-dimethylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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