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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O6S/c1-3-4-9-22(2)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,3-4,7-15H2,1-2H3