3-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]propanenitrile

Systemtic Name: 3-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]propanenitrile Openeye Name: 3-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-anilino]propanenitrile CAS Name: 3-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitroanilino]propanenitrile IUPAC Name: 3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitroanilino]propanenitrile Traditional Name: 3-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-anilino]propionitrile Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-])C

InChI

InChI=1S/C16H22N4O4S/c1-12-8-13(2)11-19(10-12)25(23,24)14-4-5-15(18-7-3-6-17)16(9-14)20(21)22/h4-5,9,12-13,18H,3,7-8,10-11H2,1-2H3/t12-,13-/m1/s1