4-methylsulfonyl-2-nitro-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]aniline

Systemtic Name: 4-methylsulfonyl-2-nitro-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-[2-(3-thienylmethylsulfanyl)ethyl]aniline CAS Name: 4-methylsulfonyl-2-nitro-N-[2-(3-thiophenylmethylthio)ethyl]aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[2-(3-thenylthio)ethyl]amine Formula: C14H16N2O4S3 MolecularWeight: 372.48284

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCSCC2=CSC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCSCC2=CSC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O4S3/c1-23(19,20)12-2-3-13(14(8-12)16(17)18)15-5-7-22-10-11-4-6-21-9-11/h2-4,6,8-9,15H,5,7,10H2,1H3