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

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-[(1S)-1-pyridin-2-ylethyl]aniline Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-N-[(1S)-1-(2-pyridyl)ethyl]aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitro-N-[(1S)-1-(2-pyridinyl)ethyl]aniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-[(1S)-1-pyridin-2-ylethyl]aniline Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-[(1S)-1-(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)NC(C)C3=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)N[C@@H](C)C3=CC=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N4O4S/c1-14-10-15(2)13-23(12-14)29(27,28)17-7-8-19(20(11-17)24(25)26)22-16(3)18-6-4-5-9-21-18/h4-9,11,14-16,22H,10,12-13H2,1-3H3/t14-,15-,16+/m1/s1