(2,4-dichlorophenyl)methyl 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate

Systemtic Name: (2,4-dichlorophenyl)methyl 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxylate Openeye Name: (2,4-dichlorophenyl)methyl 1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxylate CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)methyl 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotic acid (2,4-dichlorobenzyl) ester Formula: C23H25Cl2N3O7S MolecularWeight: 558.4315

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)Cl)Cl)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)Cl)Cl)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25Cl2N3O7S/c24-18-2-1-17(20(25)13-18)15-35-23(29)16-5-7-26(8-6-16)21-4-3-19(14-22(21)28(30)31)36(32,33)27-9-11-34-12-10-27/h1-4,13-14,16H,5-12,15H2