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

Systemtic Name: 3-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide Openeye Name: 5-isopropyl-3-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]isoxazole-4-carboxamide CAS Name: 3-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-propan-2-yl-4-isoxazolecarboxamide IUPAC Name: 3-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide Traditional Name: 5-isopropyl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-methyl-isoxazole-4-carboxamide Formula: C17H22N4O6S MolecularWeight: 410.44478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H22N4O6S/c1-10(2)16-15(11(3)20-27-16)17(22)19-8-7-18-13-6-5-12(28(4,25)26)9-14(13)21(23)24/h5-6,9-10,18H,7-8H2,1-4H3,(H,19,22)