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

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-methyl-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-methyl-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-methyl-(3-pyridylmethyl)amine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=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)N(C)CC3=CN=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N4O4S/c1-15-9-16(2)13-23(12-15)29(27,28)18-6-7-19(20(10-18)24(25)26)22(3)14-17-5-4-8-21-11-17/h4-8,10-11,15-16H,9,12-14H2,1-3H3/t15-,16-/m1/s1