2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanylethanol

Systemtic Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanylethanol Openeye Name: 2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]sulfanylethanol CAS Name: 2-[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]thio]ethanol IUPAC Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]sulfanylethanol Traditional Name: 2-[[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]thio]ethanol Formula: C14H20N2O5S2 MolecularWeight: 360.449

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5S2/c1-11-3-2-6-15(10-11)23(20,21)12-4-5-14(22-8-7-17)13(9-12)16(18)19/h4-5,9,11,17H,2-3,6-8,10H2,1H3/t11-/m0/s1