N-(4-methyl-2-phenoxy-phenyl)-N,N'-bis(methylsulfonyl)-N'-(4-nitro-2-phenoxy-phenyl)nonanediamide

Systemtic Name: N-(4-methyl-2-phenoxy-phenyl)-N,N'-bis(methylsulfonyl)-N'-(4-nitro-2-phenoxy-phenyl)nonanediamide Openeye Name: N-(4-methyl-2-phenoxy-phenyl)-N,N'-bis(methylsulfonyl)-N'-(4-nitro-2-phenoxy-phenyl)nonanediamide CAS Name: N-(4-methyl-2-phenoxyphenyl)-N,N'-bis(methylsulfonyl)-N'-(4-nitro-2-phenoxyphenyl)nonanediamide IUPAC Name: N-(4-methyl-2-phenoxyphenyl)-N,N'-bis(methylsulfonyl)-N'-(4-nitro-2-phenoxyphenyl)nonanediamide Traditional Name: N,N'-dimesyl-N-(4-methyl-2-phenoxy-phenyl)-N'-(4-nitro-2-phenoxy-phenyl)azelaamide Formula: C36H39N3O10S2 MolecularWeight: 737.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(=O)CCCCCCCC(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3)S(=O)(=O)C)S(=O)(=O)C)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)N(C(=O)CCCCCCCC(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3)S(=O)(=O)C)S(=O)(=O)C)OC4=CC=CC=C4

InChI

InChI=1S/C36H39N3O10S2/c1-27-21-23-31(33(25-27)48-29-15-9-7-10-16-29)37(50(2,44)45)35(40)19-13-5-4-6-14-20-36(41)38(51(3,46)47)32-24-22-28(39(42)43)26-34(32)49-30-17-11-8-12-18-30/h7-12,15-18,21-26H,4-6,13-14,19-20H2,1-3H3