2-[[2-chloranyl-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[2-chloranyl-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[2-chloro-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[2-chloro-4-(2-methylsulfonylphenyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[2-chloro-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[2-chloro-4-(2-mesylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)O)Cl

InChI

InChI=1S/C19H19ClN2O5S/c1-28(26,27)17-7-3-2-5-13(17)12-8-9-15(14(20)11-12)21-18(23)16-6-4-10-22(16)19(24)25/h2-3,5,7-9,11,16H,4,6,10H2,1H3,(H,21,23)(H,24,25)