(3,5-dimethylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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