phenacyl 2-chloranyl-5-(2,5-dimethylpyrrolidin-1-yl)sulfonyl-benzoate

Systemtic Name: phenacyl 2-chloranyl-5-(2,5-dimethylpyrrolidin-1-yl)sulfonyl-benzoate Openeye Name: phenacyl 2-chloro-5-(2,5-dimethylpyrrolidin-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(2,5-dimethyl-1-pyrrolidinyl)sulfonyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-chloro-5-(2,5-dimethylpyrrolidin-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(2,5-dimethylpyrrolidino)sulfonyl-benzoic acid phenacyl ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1CCC(N1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22ClNO5S/c1-14-8-9-15(2)23(14)29(26,27)17-10-11-19(22)18(12-17)21(25)28-13-20(24)16-6-4-3-5-7-16/h3-7,10-12,14-15H,8-9,13H2,1-2H3