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

Systemtic Name: N-heptan-2-yl-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-(1-methylhexyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-heptan-2-yl-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-heptan-2-yl-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(1-methylhexyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C23H36N4O6S MolecularWeight: 496.62014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O6S/c1-3-4-5-6-18(2)24-23(28)19-9-11-25(12-10-19)21-8-7-20(17-22(21)27(29)30)34(31,32)26-13-15-33-16-14-26/h7-8,17-19H,3-6,9-16H2,1-2H3,(H,24,28)