(2S)-1-(2-acetamido-5-chloranyl-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(2-acetamido-5-chloranyl-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(2-acetamido-5-chloro-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid CAS Name: (2S)-1-(2-acetamido-5-chloro-4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(2-acetamido-5-chloro-4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(2-acetamido-5-chloro-4-methyl-phenyl)sulfonylproline Formula: C14H17ClN2O5S MolecularWeight: 360.81318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCCC2C(=O)O)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O5S/c1-8-6-11(16-9(2)18)13(7-10(8)15)23(21,22)17-5-3-4-12(17)14(19)20/h6-7,12H,3-5H2,1-2H3,(H,16,18)(H,19,20)/t12-/m0/s1