ethyl N-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]carbamate

Systemtic Name: ethyl N-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]carbamate Openeye Name: ethyl N-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]carbamate CAS Name: N-[[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]carbamate Traditional Name: N-[[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]amino]carbamic acid ethyl ester Formula: C16H22N4O7S MolecularWeight: 414.43348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O7S/c1-3-27-16(22)18-17-15(21)12-6-8-19(9-7-12)28(25,26)14-10-13(20(23)24)5-4-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,21)(H,18,22)