methyl 3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[[4-[5-(trifluoromethyl)benzotriazol-1-yl]-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidino]sulfonylbenzoic acid methyl ester Formula: C20H19F3N4O4S MolecularWeight: 468.44947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3

InChI

InChI=1S/C20H19F3N4O4S/c1-31-19(28)13-3-2-4-16(11-13)32(29,30)26-9-7-15(8-10-26)27-18-6-5-14(20(21,22)23)12-17(18)24-25-27/h2-6,11-12,15H,7-10H2,1H3