(2,6-dimethylphenyl) 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2,6-dimethylphenyl) 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2,6-dimethylphenyl) 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid (2,6-dimethylphenyl) ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO4S/c1-13-6-5-7-14(2)18(13)25-19(22)16-12-15(8-9-17(16)20)26(23,24)21-10-3-4-11-21/h5-9,12H,3-4,10-11H2,1-2H3