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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O5S2/c1-11-4-6-15(7-5-11)23(20,21)12-2-3-14(22-9-8-17)13(10-12)16(18)19/h2-3,10-11,17H,4-9H2,1H3