3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[[4-[5-(trifluoromethyl)benzotriazol-1-yl]-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidino]sulfonylbenzoic acid Formula: C19H17F3N4O4S MolecularWeight: 454.42289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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