ethyl (2S)-1-(2-acetamido-5-chloranyl-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-(2-acetamido-5-chloranyl-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: ethyl (2S)-1-(2-acetamido-5-chloro-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-acetamido-5-chloro-4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-(2-acetamido-5-chloro-4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-acetamido-5-chloro-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid ethyl ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1S(=O)(=O)C2=C(C=C(C(=C2)Cl)C)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN1S(=O)(=O)C2=C(C=C(C(=C2)Cl)C)NC(=O)C

InChI

InChI=1S/C16H21ClN2O5S/c1-4-24-16(21)14-6-5-7-19(14)25(22,23)15-9-12(17)10(2)8-13(15)18-11(3)20/h8-9,14H,4-7H2,1-3H3,(H,18,20)/t14-/m0/s1