6-bromanyl-5-(4-methylsulfonylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 6-bromanyl-5-(4-methylsulfonylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 6-bromo-5-(4-methylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 6-bromo-5-[(4-methylsulfonylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 6-bromo-5-(4-methylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6-bromo-5-(4-mesylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C16H14BrNO5S MolecularWeight: 412.25506

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)Br

InChI

InChI=1S/C16H14BrNO5S/c1-24(22,23)10-4-2-9(3-5-10)15(19)14-12(17)8-13-11(16(20)21)6-7-18(13)14/h2-5,8,11H,6-7H2,1H3,(H,20,21)