3-[(4-methylphenyl)sulfonylmethyl]-2-nitro-thiophene

Systemtic Name: 3-[(4-methylphenyl)sulfonylmethyl]-2-nitro-thiophene Openeye Name: 2-nitro-3-(p-tolylsulfonylmethyl)thiophene CAS Name: 3-[(4-methylphenyl)sulfonylmethyl]-2-nitrothiophene IUPAC Name: 3-[(4-methylphenyl)sulfonylmethyl]-2-nitrothiophene Traditional Name: 2-nitro-3-(tosylmethyl)thiophene Formula: C12H11NO4S2 MolecularWeight: 297.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(SC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(SC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO4S2/c1-9-2-4-11(5-3-9)19(16,17)8-10-6-7-18-12(10)13(14)15/h2-7H,8H2,1H3