6-methoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: 6-methoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: 6-methoxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-oxo-1H-quinoline-3-carboxamide CAS Name: 6-methoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-oxo-1H-quinoline-3-carboxamide IUPAC Name: 6-methoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-oxo-1H-quinoline-3-carboxamide Traditional Name: 2-keto-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-6-methoxy-1H-quinoline-3-carboxamide Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7S/c1-31-13-3-5-16-12(9-13)10-15(20(26)23-16)19(25)22-8-7-21-17-6-4-14(32(2,29)30)11-18(17)24(27)28/h3-6,9-11,21H,7-8H2,1-2H3,(H,22,25)(H,23,26)