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

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-phenylmethoxy-aniline Openeye Name: N-benzyloxy-4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitro-N-phenylmethoxyaniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-N-phenylmethoxyaniline Traditional Name: benzoxy-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NOCC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NOCC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O5S/c1-15-10-16(2)13-22(12-15)29(26,27)18-8-9-19(20(11-18)23(24)25)21-28-14-17-6-4-3-5-7-17/h3-9,11,15-16,21H,10,12-14H2,1-2H3/t15-,16-/m1/s1