N-[(5-bromanylthiophen-2-yl)methyl]-N,4-dimethyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-N,4-dimethyl-3-nitro-benzenesulfonamide Openeye Name: N-[(5-bromo-2-thienyl)methyl]-N,4-dimethyl-3-nitro-benzenesulfonamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-N,4-dimethyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-3-nitrobenzenesulfonamide Traditional Name: N-[(5-bromo-2-thienyl)methyl]-N,4-dimethyl-3-nitro-benzenesulfonamide Formula: C13H13BrN2O4S2 MolecularWeight: 405.28732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(S2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(S2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN2O4S2/c1-9-3-5-11(7-12(9)16(17)18)22(19,20)15(2)8-10-4-6-13(14)21-10/h3-7H,8H2,1-2H3