N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C17H16N4O6S2 MolecularWeight: 436.46214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=NOC(=C2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=NOC(=C2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S2/c1-29(25,26)11-4-5-12(14(9-11)21(23)24)18-6-7-19-17(22)13-10-15(27-20-13)16-3-2-8-28-16/h2-5,8-10,18H,6-7H2,1H3,(H,19,22)