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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C19H18N4O6S MolecularWeight: 430.43442

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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=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O6S/c1-30(27,28)14-7-8-15(17(11-14)23(25)26)20-9-10-21-19(24)16-12-18(29-22-16)13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,21,24)