5-methylsulfonyl-3-nitro-N-(phenylmethyl)thiophen-2-amine

Systemtic Name: 5-methylsulfonyl-3-nitro-N-(phenylmethyl)thiophen-2-amine Openeye Name: N-benzyl-5-methylsulfonyl-3-nitro-thiophen-2-amine CAS Name: 5-methylsulfonyl-3-nitro-N-(phenylmethyl)-2-thiophenamine IUPAC Name: N-benzyl-5-methylsulfonyl-3-nitrothiophen-2-amine Traditional Name: benzyl-(5-mesyl-3-nitro-2-thienyl)amine Formula: C12H12N2O4S2 MolecularWeight: 312.36468

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(S1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(S1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4S2/c1-20(17,18)11-7-10(14(15)16)12(19-11)13-8-9-5-3-2-4-6-9/h2-7,13H,8H2,1H3