N-[(4-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C23H27ClN4O6S MolecularWeight: 523.00168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN4O6S/c24-19-3-1-17(2-4-19)16-25-23(29)18-7-9-26(10-8-18)21-6-5-20(15-22(21)28(30)31)35(32,33)27-11-13-34-14-12-27/h1-6,15,18H,7-14,16H2,(H,25,29)