1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-fluoranyl-benzotriazole

Systemtic Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-fluoranyl-benzotriazole Openeye Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-5-fluoro-benzotriazole CAS Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-5-fluorobenzotriazole IUPAC Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-fluorobenzotriazole Traditional Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-5-fluoro-benzotriazole Formula: C19H19FN4O4S MolecularWeight: 418.441963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C19H19FN4O4S/c20-13-1-3-17-16(11-13)21-22-24(17)14-5-7-23(8-6-14)29(25,26)15-2-4-18-19(12-15)28-10-9-27-18/h1-4,11-12,14H,5-10H2