3,4,5-trimethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-nitro-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-nitro-benzamide Openeye Name: 3,4,5-trimethoxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-nitro-benzamide CAS Name: 3,4,5-trimethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-nitrobenzamide IUPAC Name: 3,4,5-trimethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-nitrobenzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C19H22N4O10S MolecularWeight: 498.46378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H22N4O10S/c1-31-15-10-12(16(23(27)28)18(33-3)17(15)32-2)19(24)21-8-7-20-13-6-5-11(34(4,29)30)9-14(13)22(25)26/h5-6,9-10,20H,7-8H2,1-4H3,(H,21,24)