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

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-N-[2-(2-pyridyl)ethyl]aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitro-N-[2-(2-pyridinyl)ethyl]aniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-[2-(2-pyridyl)ethyl]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)NCCC3=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)NCCC3=CC=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N4O4S/c1-15-11-16(2)14-23(13-15)29(27,28)18-6-7-19(20(12-18)24(25)26)22-10-8-17-5-3-4-9-21-17/h3-7,9,12,15-16,22H,8,10-11,13-14H2,1-2H3/t15-,16-/m1/s1