4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-phenol

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-phenol Openeye Name: 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-nitro-phenol CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-nitrophenol IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitrophenol Traditional Name: 4-(3,5-dimethylpiperidino)sulfonyl-2-nitro-phenol Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-9-5-10(2)8-14(7-9)21(19,20)11-3-4-13(16)12(6-11)15(17)18/h3-4,6,9-10,16H,5,7-8H2,1-2H3