N-(1-methylpyrazol-3-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-(1-methylpyrazol-3-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-(1-methylpyrazol-3-yl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-(1-methyl-3-pyrazolyl)-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-(1-methylpyrazol-3-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(1-methylpyrazol-3-yl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C20H26N6O6S MolecularWeight: 478.52204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC(=N1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O6S/c1-23-7-6-19(22-23)21-20(27)15-4-8-24(9-5-15)17-3-2-16(14-18(17)26(28)29)33(30,31)25-10-12-32-13-11-25/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,21,22,27)