2-bromanyl-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)benzoic acid

Systemtic Name: 2-bromanyl-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)benzoic acid CAS Name: 2-bromo-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)benzoic acid IUPAC Name: 2-bromo-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)benzoic acid Formula: C12H12BrNO4S MolecularWeight: 346.19698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CN(CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H12BrNO4S/c13-11-5-4-9(8-10(11)12(15)16)19(17,18)14-6-2-1-3-7-14/h1-2,4-5,8H,3,6-7H2,(H,15,16)