5-(2-aminocarbonylpyrrolidin-1-yl)sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-(2-aminocarbonylpyrrolidin-1-yl)sulfonyl-2-methyl-benzoic acid Openeye Name: 5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-2-methyl-benzoic acid CAS Name: 5-[(2-carbamoyl-1-pyrrolidinyl)sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-2-methylbenzoic acid Traditional Name: 5-(2-carbamoylpyrrolidino)sulfonyl-2-methyl-benzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-8-4-5-9(7-10(8)13(17)18)21(19,20)15-6-2-3-11(15)12(14)16/h4-5,7,11H,2-3,6H2,1H3,(H2,14,16)(H,17,18)