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

Systemtic Name: methyl 2-[[1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidin-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carbonyl]amino]acetate CAS Name: 2-[[[1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carbonyl]amino]acetate Traditional Name: 2-[[1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotoyl]amino]acetic acid methyl ester Formula: C19H26N4O8S MolecularWeight: 470.49674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O8S/c1-30-18(24)13-20-19(25)14-4-6-21(7-5-14)16-3-2-15(12-17(16)23(26)27)32(28,29)22-8-10-31-11-9-22/h2-3,12,14H,4-11,13H2,1H3,(H,20,25)