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

Systemtic Name: N-(4-methyl-2-phenoxy-phenyl)-N,N'-bis(methylsulfonyl)-N'-(4-nitro-2-phenoxy-phenyl)butanediamide Openeye Name: N-(4-methyl-2-phenoxy-phenyl)-N,N'-bis(methylsulfonyl)-N'-(4-nitro-2-phenoxy-phenyl)butanediamide CAS Name: N-(4-methyl-2-phenoxyphenyl)-N,N'-bis(methylsulfonyl)-N'-(4-nitro-2-phenoxyphenyl)butanediamide IUPAC Name: N-(4-methyl-2-phenoxyphenyl)-N,N'-bis(methylsulfonyl)-N'-(4-nitro-2-phenoxyphenyl)butanediamide Traditional Name: N,N'-dimesyl-N-(4-methyl-2-phenoxy-phenyl)-N'-(4-nitro-2-phenoxy-phenyl)succinamide Formula: C31H29N3O10S2 MolecularWeight: 667.70606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(=O)CCC(=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)CCC(=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/C31H29N3O10S2/c1-22-14-16-26(28(20-22)43-24-10-6-4-7-11-24)32(45(2,39)40)30(35)18-19-31(36)33(46(3,41)42)27-17-15-23(34(37)38)21-29(27)44-25-12-8-5-9-13-25/h4-17,20-21H,18-19H2,1-3H3