1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-pentyl-piperidine-4-carboxamide

Systemtic Name: 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-pentyl-piperidine-4-carboxamide Openeye Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)-N-pentyl-piperidine-4-carboxamide CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-N-pentyl-4-piperidinecarboxamide IUPAC Name: 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-pentylpiperidine-4-carboxamide Traditional Name: N-amyl-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C21H32N4O6S MolecularWeight: 468.56698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O6S/c1-2-3-4-9-22-21(26)17-7-10-23(11-8-17)19-6-5-18(16-20(19)25(27)28)32(29,30)24-12-14-31-15-13-24/h5-6,16-17H,2-4,7-15H2,1H3,(H,22,26)