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2-[4-[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]phenyl]ethanenitrile
2-[4-[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]phenyl]ethanenitrile
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Descriptors Computed from Structure
Canonical SMILES:
CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]
Isomeric SMILES
CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]
InChI
InChI=1S/C20H22N4O4S/c1-15-9-12-23(13-10-15)29(27,28)18-6-7-19(20(14-18)24(25)26)22-17-4-2-16(3-5-17)8-11-21/h2-7,14-15,22H,8-10,12-13H2,1H3
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- 2-[4-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]phenyl]ethanenitrile
