4-(2-azanyl-2-oxidanylidene-ethoxy)-3,5-dimethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-3,5-dimethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-3,5-dimethoxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3,5-dimethoxy-benzamide Formula: C20H24N4O9S MolecularWeight: 496.49096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC(=O)N)OC)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OCC(=O)N)OC)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O9S/c1-31-16-8-12(9-17(32-2)19(16)33-11-18(21)25)20(26)23-7-6-22-14-5-4-13(34(3,29)30)10-15(14)24(27)28/h4-5,8-10,22H,6-7,11H2,1-3H3,(H2,21,25)(H,23,26)