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

Systemtic Name: 5-(2-aminocarbonylpyrrolidin-1-yl)sulfonyl-2-bromanyl-benzoic acid Openeye Name: 2-bromo-5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-benzoic acid CAS Name: 2-bromo-5-[(2-carbamoyl-1-pyrrolidinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(2-carbamoylpyrrolidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(2-carbamoylpyrrolidino)sulfonyl-benzoic acid Formula: C12H13BrN2O5S MolecularWeight: 377.21102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O5S/c13-9-4-3-7(6-8(9)12(17)18)21(19,20)15-5-1-2-10(15)11(14)16/h3-4,6,10H,1-2,5H2,(H2,14,16)(H,17,18)