2-bromanyl-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[(2,6-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-bromo-5-[(2,6-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(2,6-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(2,6-dimethylpiperidino)sulfonyl-benzoic acid Formula: C14H18BrNO4S MolecularWeight: 376.26602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)C

InChI

InChI=1S/C14H18BrNO4S/c1-9-4-3-5-10(2)16(9)21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10H,3-5H2,1-2H3,(H,17,18)