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N-[4-[2-[ethyl-[(6-nitroquinolin-2-yl)methyl]amino]ethyl]phenyl]methanesulfonamide
N-[4-[2-[ethyl-[(6-nitroquinolin-2-yl)methyl]amino]ethyl]phenyl]methanesulfonamide
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Descriptors Computed from Structure
Canonical SMILES:
CCN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CC2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-]
Isomeric SMILES
CCN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CC2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H24N4O4S/c1-3-24(13-12-16-4-7-18(8-5-16)23-30(2,28)29)15-19-9-6-17-14-20(25(26)27)10-11-21(17)22-19/h4-11,14,23H,3,12-13,15H2,1-2H3
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- 3-(3-hydroxyphenyl)propanoic acid
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