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

Systemtic Name: 4-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]cyclohexan-1-ol Openeye Name: 4-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-anilino]cyclohexanol CAS Name: 4-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitroanilino]-1-cyclohexanol IUPAC Name: 4-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitroanilino]cyclohexan-1-ol Traditional Name: 4-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-anilino]cyclohexanol Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCC(CC3)O)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCC(CC3)O)[N+](=O)[O-])C

InChI

InChI=1S/C19H29N3O5S/c1-13-9-14(2)12-21(11-13)28(26,27)17-7-8-18(19(10-17)22(24)25)20-15-3-5-16(23)6-4-15/h7-8,10,13-16,20,23H,3-6,9,11-12H2,1-2H3/t13-,14-,15?,16?/m1/s1