8-[[5-(1,3-benzodioxol-5-yl)-3-butoxy-1,2,4-triazol-1-yl]sulfonyl]quinoline

Systemtic Name: 8-[[5-(1,3-benzodioxol-5-yl)-3-butoxy-1,2,4-triazol-1-yl]sulfonyl]quinoline Openeye Name: 8-[[5-(1,3-benzodioxol-5-yl)-3-butoxy-1,2,4-triazol-1-yl]sulfonyl]quinoline CAS Name: 8-[[5-(1,3-benzodioxol-5-yl)-3-butoxy-1,2,4-triazol-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[5-(1,3-benzodioxol-5-yl)-3-butoxy-1,2,4-triazol-1-yl]sulfonyl]quinoline Traditional Name: 8-[[5-(1,3-benzodioxol-5-yl)-3-butoxy-1,2,4-triazol-1-yl]sulfonyl]quinoline Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C22H20N4O5S/c1-2-3-12-29-22-24-21(16-9-10-17-18(13-16)31-14-30-17)26(25-22)32(27,28)19-8-4-6-15-7-5-11-23-20(15)19/h4-11,13H,2-3,12,14H2,1H3