(2S,6S)-2,6-dimethyl-4-[5-nitro-2-(4-phenylpiperidin-1-yl)phenyl]sulfonyl-morpholine

Systemtic Name: (2S,6S)-2,6-dimethyl-4-[5-nitro-2-(4-phenylpiperidin-1-yl)phenyl]sulfonyl-morpholine Openeye Name: (2S,6S)-2,6-dimethyl-4-[5-nitro-2-(4-phenyl-1-piperidyl)phenyl]sulfonyl-morpholine CAS Name: (2S,6S)-2,6-dimethyl-4-[5-nitro-2-(4-phenyl-1-piperidinyl)phenyl]sulfonylmorpholine IUPAC Name: (2S,6S)-2,6-dimethyl-4-[5-nitro-2-(4-phenylpiperidin-1-yl)phenyl]sulfonylmorpholine Traditional Name: (2S,6S)-2,6-dimethyl-4-[5-nitro-2-(4-phenylpiperidino)phenyl]sulfonyl-morpholine Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O5S/c1-17-15-25(16-18(2)31-17)32(29,30)23-14-21(26(27)28)8-9-22(23)24-12-10-20(11-13-24)19-6-4-3-5-7-19/h3-9,14,17-18,20H,10-13,15-16H2,1-2H3/t17-,18-/m0/s1