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

Systemtic Name: 2-[[2-methyl-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[2-methyl-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[2-methyl-4-(2-methylsulfonylphenyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[2-methyl-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[4-(2-mesylphenyl)-2-methyl-phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=CC=C2S(=O)(=O)C)NC(=O)C3CCCN3C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=CC=C2S(=O)(=O)C)NC(=O)C3CCCN3C(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-13-12-14(15-6-3-4-8-18(15)28(2,26)27)9-10-16(13)21-19(23)17-7-5-11-22(17)20(24)25/h3-4,6,8-10,12,17H,5,7,11H2,1-2H3,(H,21,23)(H,24,25)