4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-N-(2-pyridylmethyl)aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitro-N-(2-pyridinylmethyl)aniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-(2-pyridylmethyl)amine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=N3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C19H24N4O4S/c1-14-9-15(2)13-22(12-14)28(26,27)17-6-7-18(19(10-17)23(24)25)21-11-16-5-3-4-8-20-16/h3-8,10,14-15,21H,9,11-13H2,1-2H3/t14-,15-/m1/s1