2-(3,5-dimethylphenoxy)ethyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO5S/c1-15-11-16(2)13-17(12-15)27-9-10-28-21(24)19-14-18(5-6-20(19)22)29(25,26)23-7-3-4-8-23/h5-6,11-14H,3-4,7-10H2,1-2H3