Chemical Compounds of Interest

(Q47)

Statements

SMILES (without stereochemistry)
CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₇N₃O₃S
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
1 reference
based on heuristic
inferred from SMILES
 
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