N-[(2,6-dimethyl-3-phenyl-phenyl)methyl]-4-nitro-N-(4-nitrophenyl)sulfonyl-benzenesulfonamide

Systemtic Name: N-[(2,6-dimethyl-3-phenyl-phenyl)methyl]-4-nitro-N-(4-nitrophenyl)sulfonyl-benzenesulfonamide Openeye Name: N-[(2,6-dimethyl-3-phenyl-phenyl)methyl]-4-nitro-N-(4-nitrophenyl)sulfonyl-benzenesulfonamide CAS Name: N-[(2,6-dimethyl-3-phenylphenyl)methyl]-4-nitro-N-(4-nitrophenyl)sulfonylbenzenesulfonamide IUPAC Name: N-[(2,6-dimethyl-3-phenylphenyl)methyl]-4-nitro-N-(4-nitrophenyl)sulfonylbenzenesulfonamide Traditional Name: N-(2,6-dimethyl-3-phenyl-benzyl)-4-nitro-N-nosyl-benzenesulfonamide Formula: C27H23N3O8S2 MolecularWeight: 581.61682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O8S2/c1-19-8-17-26(21-6-4-3-5-7-21)20(2)27(19)18-28(39(35,36)24-13-9-22(10-14-24)29(31)32)40(37,38)25-15-11-23(12-16-25)30(33)34/h3-17H,18H2,1-2H3