(2S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-(4-chloro-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonylpyrrolidine-2-carboxylate Formula: C13H15ClNO4S- MolecularWeight: 316.7805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C13H16ClNO4S/c1-8-7-12(9(2)6-10(8)14)20(18,19)15-5-3-4-11(15)13(16)17/h6-7,11H,3-5H2,1-2H3,(H,16,17)/p-1/t11-/m0/s1