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4-(3-nitrophenyl)sulfonyl-N-[(1-phenylcyclopropyl)methyl]piperazine-1-carboxamide
4-(3-nitrophenyl)sulfonyl-N-[(1-phenylcyclopropyl)methyl]piperazine-1-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
C1CC1(CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4
Isomeric SMILES
C1CC1(CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C21H24N4O5S/c26-20(22-16-21(9-10-21)17-5-2-1-3-6-17)23-11-13-24(14-12-23)31(29,30)19-8-4-7-18(15-19)25(27)28/h1-8,15H,9-14,16H2,(H,22,26)
Other Product
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- 3-(3-hydroxyphenyl)propanoic acid
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