2-[4-(2-aminocarbonylpyrrolidin-1-yl)sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-(2-aminocarbonylpyrrolidin-1-yl)sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-(2-carbamoylpyrrolidin-1-yl)sulfonylphenyl]acetic acid CAS Name: 2-[4-[(2-carbamoyl-1-pyrrolidinyl)sulfonyl]phenyl]acetic acid IUPAC Name: 2-[4-(2-carbamoylpyrrolidin-1-yl)sulfonylphenyl]acetic acid Traditional Name: 2-[4-(2-carbamoylpyrrolidino)sulfonylphenyl]acetic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)O)C(=O)N

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)O)C(=O)N

InChI

InChI=1S/C13H16N2O5S/c14-13(18)11-2-1-7-15(11)21(19,20)10-5-3-9(4-6-10)8-12(16)17/h3-6,11H,1-2,7-8H2,(H2,14,18)(H,16,17)