2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-methyl-amino]ethanol

Systemtic Name: 2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-methyl-amino]ethanol Openeye Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-methyl-2-nitro-anilino]ethanol CAS Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-methyl-2-nitroanilino]ethanol IUPAC Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-2-nitroanilino]ethanol Traditional Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-N-methyl-2-nitro-anilino]ethanol Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O5S/c1-12-8-13(2)11-18(10-12)25(23,24)14-4-5-15(17(3)6-7-20)16(9-14)19(21)22/h4-5,9,12-13,20H,6-8,10-11H2,1-3H3/t12-,13-/m1/s1