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

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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