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

Systemtic Name: 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylethanol Openeye Name: 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylethanol CAS Name: 2-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]ethanol IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanylethanol Traditional Name: 2-[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]ethanol Formula: C13H19N3O5S2 MolecularWeight: 361.43706

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5S2/c1-14-4-6-15(7-5-14)23(20,21)11-2-3-13(22-9-8-17)12(10-11)16(18)19/h2-3,10,17H,4-9H2,1H3