4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[[4-[5-(trifluoromethyl)benzotriazol-1-yl]-1-piperidyl]sulfonyl]benzoic acid CAS Name: 4-[[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidino]sulfonylbenzoic acid Formula: C19H17F3N4O4S MolecularWeight: 454.42289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H17F3N4O4S/c20-19(21,22)13-3-6-17-16(11-13)23-24-26(17)14-7-9-25(10-8-14)31(29,30)15-4-1-12(2-5-15)18(27)28/h1-6,11,14H,7-10H2,(H,27,28)