2-bromanyl-5-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[[4-(phenylcarbamoyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 5-[[4-[anilino(oxo)methyl]-1-piperidinyl]sulfonyl]-2-bromobenzoic acid IUPAC Name: 2-bromo-5-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[4-(phenylcarbamoyl)piperidino]sulfonyl-benzoic acid Formula: C19H19BrN2O5S MolecularWeight: 467.33356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H19BrN2O5S/c20-17-7-6-15(12-16(17)19(24)25)28(26,27)22-10-8-13(9-11-22)18(23)21-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,21,23)(H,24,25)