3-(3-methylsulfonylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid

Systemtic Name: 3-(3-methylsulfonylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(3-methylsulfonylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 3-[(3-methylsulfonylphenyl)-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 3-(3-methylsulfonylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(3-mesylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C17H17NO5S MolecularWeight: 347.38558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC=C3N2CCCC3C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC=C3N2CCCC3C(=O)O

InChI

InChI=1S/C17H17NO5S/c1-24(22,23)12-5-2-4-11(10-12)16(19)15-8-7-14-13(17(20)21)6-3-9-18(14)15/h2,4-5,7-8,10,13H,3,6,9H2,1H3,(H,20,21)