ethyl N-[[1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidin-4-yl]carbonylamino]carbamate

Systemtic Name: ethyl N-[[1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidin-4-yl]carbonylamino]carbamate Openeye Name: ethyl N-[[1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carbonyl]amino]carbamate CAS Name: N-[[[1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinyl]-oxomethyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carbonyl]amino]carbamate Traditional Name: N-[[1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotoyl]amino]carbamic acid ethyl ester Formula: C19H27N5O8S MolecularWeight: 485.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O8S/c1-2-32-19(26)21-20-18(25)14-5-7-22(8-6-14)16-4-3-15(13-17(16)24(27)28)33(29,30)23-9-11-31-12-10-23/h3-4,13-14H,2,5-12H2,1H3,(H,20,25)(H,21,26)