2-[[(2S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpyrrolidin-2-yl]carbonylamino]ethanoate

Systemtic Name: 2-[[(2S)-1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpyrrolidin-2-yl]carbonylamino]ethanoate Openeye Name: 2-[[(2S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate CAS Name: 2-[[[(2S)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[(2S)-1-(4-chloro-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetate Traditional Name: 2-[[(2S)-1-(4-chloro-2,5-dimethyl-phenyl)sulfonylprolyl]amino]acetate Formula: C15H18ClN2O5S- MolecularWeight: 373.83182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O5S/c1-9-7-13(10(2)6-11(9)16)24(22,23)18-5-3-4-12(18)15(21)17-8-14(19)20/h6-7,12H,3-5,8H2,1-2H3,(H,17,21)(H,19,20)/p-1/t12-/m0/s1