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

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-(3-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=CN=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-])C

InChI

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