4-methylsulfonyl-2-nitro-N-(2-thiophen-2-ylethyl)aniline

Systemtic Name: 4-methylsulfonyl-2-nitro-N-(2-thiophen-2-ylethyl)aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-[2-(2-thienyl)ethyl]aniline CAS Name: 4-methylsulfonyl-2-nitro-N-(2-thiophen-2-ylethyl)aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-(2-thiophen-2-ylethyl)aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[2-(2-thienyl)ethyl]amine Formula: C13H14N2O4S2 MolecularWeight: 326.39126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4S2/c1-21(18,19)11-4-5-12(13(9-11)15(16)17)14-7-6-10-3-2-8-20-10/h2-5,8-9,14H,6-7H2,1H3