N,N-bis(2-methylsulfonylsulfanylethyl)-3-nitro-aniline

Systemtic Name: N,N-bis(2-methylsulfonylsulfanylethyl)-3-nitro-aniline Openeye Name: N,N-bis(2-methylsulfonylsulfanylethyl)-3-nitro-aniline CAS Name: N,N-bis[2-(methylsulfonylthio)ethyl]-3-nitroaniline IUPAC Name: N,N-bis(2-methylsulfonylsulfanylethyl)-3-nitroaniline Traditional Name: bis[2-(mesylthio)ethyl]-(3-nitrophenyl)amine Formula: C12H18N2O6S4 MolecularWeight: 414.54112

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCN(CCSS(=O)(=O)C)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)SCCN(CCSS(=O)(=O)C)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O6S4/c1-23(17,18)21-8-6-13(7-9-22-24(2,19)20)11-4-3-5-12(10-11)14(15)16/h3-5,10H,6-9H2,1-2H3