5-bromanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[2-(4-mesyl-2-nitro-anilino)ethyl]thiophene-2-carboxamide Formula: C14H14BrN3O5S2 MolecularWeight: 448.31206

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(S2)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(S2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H14BrN3O5S2/c1-25(22,23)9-2-3-10(11(8-9)18(20)21)16-6-7-17-14(19)12-4-5-13(15)24-12/h2-5,8,16H,6-7H2,1H3,(H,17,19)