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

Systemtic Name: 2,4,5-trimethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]furan-3-carboxamide Openeye Name: 2,4,5-trimethyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]furan-3-carboxamide CAS Name: 2,4,5-trimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-furancarboxamide IUPAC Name: 2,4,5-trimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]furan-3-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2,4,5-trimethyl-3-furamide Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6S/c1-10-11(2)26-12(3)16(10)17(21)19-8-7-18-14-6-5-13(27(4,24)25)9-15(14)20(22)23/h5-6,9,18H,7-8H2,1-4H3,(H,19,21)