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

Systemtic Name: methyl 3-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[[4-(5-fluorobenzotriazol-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[4-(5-fluoro-1-benzotriazolyl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(5-fluorobenzotriazol-1-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C19H19FN4O4S MolecularWeight: 418.441963

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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)F)N=N3

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN4O4S/c1-28-19(25)13-3-2-4-16(11-13)29(26,27)23-9-7-15(8-10-23)24-18-6-5-14(20)12-17(18)21-22-24/h2-6,11-12,15H,7-10H2,1H3