N-[(5-bromanylthiophen-2-yl)methyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(5-bromo-2-thienyl)methyl]-N-methyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-N-methyl-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-methylsulfonyl-2-nitroaniline Traditional Name: (5-bromo-2-thienyl)methyl-(4-mesyl-2-nitro-phenyl)-methyl-amine Formula: C13H13BrN2O4S2 MolecularWeight: 405.28732

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Br)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(S1)Br)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

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