3-(2-aminocarbonylpyrrolidin-1-yl)sulfonyl-4-bromanyl-benzoic acid

Systemtic Name: 3-(2-aminocarbonylpyrrolidin-1-yl)sulfonyl-4-bromanyl-benzoic acid Openeye Name: 4-bromo-3-(2-carbamoylpyrrolidin-1-yl)sulfonyl-benzoic acid CAS Name: 4-bromo-3-[(2-carbamoyl-1-pyrrolidinyl)sulfonyl]benzoic acid IUPAC Name: 4-bromo-3-(2-carbamoylpyrrolidin-1-yl)sulfonylbenzoic acid Traditional Name: 4-bromo-3-(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=C(C=CC(=C2)C(=O)O)Br)C(=O)N

Isomeric SMILES

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

InChI

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