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

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-1-methoxypropan-2-yl]-2-nitro-aniline Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-[(1S)-2-methoxy-1-methyl-ethyl]-2-nitro-aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-[(2S)-1-methoxypropan-2-yl]-2-nitroaniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-1-methoxypropan-2-yl]-2-nitroaniline Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-[(1S)-2-methoxy-1-methyl-ethyl]amine Formula: C17H27N3O5S MolecularWeight: 385.47838

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H27N3O5S/c1-12-7-13(2)10-19(9-12)26(23,24)15-5-6-16(17(8-15)20(21)22)18-14(3)11-25-4/h5-6,8,12-14,18H,7,9-11H2,1-4H3/t12-,13-,14+/m1/s1