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

Systemtic Name: 8-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]sulfonyl]quinoline Openeye Name: 8-[[5-(1,3-benzodioxol-5-yl)-3-isopropoxy-1,2,4-triazol-1-yl]sulfonyl]quinoline CAS Name: 8-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[5-(1,3-benzodioxol-5-yl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]sulfonyl]quinoline Traditional Name: 8-[[5-(1,3-benzodioxol-5-yl)-3-isopropoxy-1,2,4-triazol-1-yl]sulfonyl]quinoline Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC(C)OC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C21H18N4O5S/c1-13(2)30-21-23-20(15-8-9-16-17(11-15)29-12-28-16)25(24-21)31(26,27)18-7-3-5-14-6-4-10-22-19(14)18/h3-11,13H,12H2,1-2H3