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

Systemtic Name: N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-isobutyl-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-(2-methylpropyl)-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methylpropyl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-isobutyl-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O6S/c1-15(2)14-21-20(25)16-5-7-22(8-6-16)18-4-3-17(13-19(18)24(26)27)31(28,29)23-9-11-30-12-10-23/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,21,25)