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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-5-(3-pyridyl)isoxazole-3-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-(3-pyridinyl)-3-isoxazolecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-5-(3-pyridyl)isoxazole-3-carboxamide Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O6S/c1-30(27,28)13-4-5-14(16(9-13)23(25)26)20-7-8-21-18(24)15-10-17(29-22-15)12-3-2-6-19-11-12/h2-6,9-11,20H,7-8H2,1H3,(H,21,24)