tert-butyl N-[(3S,4R)-1-(2,4-dinitrophenyl)sulfonyl-4-ethyl-piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S,4R)-1-(2,4-dinitrophenyl)sulfonyl-4-ethyl-piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3S,4R)-1-(2,4-dinitrophenyl)sulfonyl-4-ethyl-3-piperidyl]carbamate CAS Name: N-[(3S,4R)-1-(2,4-dinitrophenyl)sulfonyl-4-ethyl-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S,4R)-1-(2,4-dinitrophenyl)sulfonyl-4-ethylpiperidin-3-yl]carbamate Traditional Name: N-[(3S,4R)-1-(2,4-dinitrophenyl)sulfonyl-4-ethyl-3-piperidyl]carbamic acid tert-butyl ester Formula: C18H26N4O8S MolecularWeight: 458.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1NC(=O)OC(C)(C)C)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[C@@H]1CCN(C[C@H]1NC(=O)OC(C)(C)C)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O8S/c1-5-12-8-9-20(11-14(12)19-17(23)30-18(2,3)4)31(28,29)16-7-6-13(21(24)25)10-15(16)22(26)27/h6-7,10,12,14H,5,8-9,11H2,1-4H3,(H,19,23)/t12-,14-/m1/s1