(1R,2R)-N-(cyanomethyl)-2-[(4-nitrophenyl)sulfonylmethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(4-nitrophenyl)sulfonylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(4-nitrophenyl)sulfonylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[(4-nitrophenyl)sulfonylmethyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(4-nitrophenyl)sulfonylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-(nosylmethyl)cyclohexanecarboxamide Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC#N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC#N

InChI

InChI=1S/C16H19N3O5S/c17-9-10-18-16(20)15-4-2-1-3-12(15)11-25(23,24)14-7-5-13(6-8-14)19(21)22/h5-8,12,15H,1-4,10-11H2,(H,18,20)/t12-,15+/m0/s1