methyl 2-methyl-2-[[1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl 2-methyl-2-[[1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl 2-methyl-2-[[1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carbonyl]amino]propanoate CAS Name: 2-methyl-2-[[[1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[[1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carbonyl]amino]propanoate Traditional Name: 2-methyl-2-[[1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotoyl]amino]propionic acid methyl ester Formula: C21H30N4O8S MolecularWeight: 498.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O8S/c1-21(2,20(27)32-3)22-19(26)15-6-8-23(9-7-15)17-5-4-16(14-18(17)25(28)29)34(30,31)24-10-12-33-13-11-24/h4-5,14-15H,6-13H2,1-3H3,(H,22,26)