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

Systemtic Name: 5-(4-bromophenyl)carbonyl-6-methylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(4-bromobenzoyl)-6-methylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[(4-bromophenyl)-oxomethyl]-6-methylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(4-bromobenzoyl)-6-methylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-(4-bromobenzoyl)-6-mesyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C16H14BrNO5S MolecularWeight: 412.25506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=C(N2CCC(C2=C1)C(=O)O)C(=O)C3=CC=C(C=C3)Br

InChI

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