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N-[(3-methoxyphenyl)methyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide
N-[(3-methoxyphenyl)methyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)OC)[N+](=O)[O-]
Isomeric SMILES
CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)OC)[N+](=O)[O-]
InChI
InChI=1S/C21H26N4O6S/c1-22-19-7-6-18(13-20(19)25(27)28)32(29,30)24-10-8-16(9-11-24)21(26)23-14-15-4-3-5-17(12-15)31-2/h3-7,12-13,16,22H,8-11,14H2,1-2H3,(H,23,26)
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