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4-butoxy-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
4-butoxy-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
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Descriptors Computed from Structure
Canonical SMILES:
CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N
Isomeric SMILES
CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N
InChI
InChI=1S/C21H22N4O3S/c1-2-3-11-28-20-7-9-21(10-8-20)29(26,27)24-19-14-23-25(16-19)15-18-6-4-5-17(12-18)13-22/h4-10,12,14,16,24H,2-3,11,15H2,1H3
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