N-[4-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]phenyl]-N-(2-methyl-5-nitro-phenyl)sulfonyl-butanamide

Systemtic Name: N-[4-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]phenyl]-N-(2-methyl-5-nitro-phenyl)sulfonyl-butanamide Openeye Name: N-[4-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]phenyl]-N-(2-methyl-5-nitro-phenyl)sulfonyl-butanamide CAS Name: N-(2-methyl-5-nitrophenyl)sulfonyl-N-[4-[(2-methyl-5-nitrophenyl)sulfonyl-(1-oxobutyl)amino]phenyl]butanamide IUPAC Name: N-[4-[butanoyl-(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]-N-(2-methyl-5-nitrophenyl)sulfonylbutanamide Traditional Name: N-[4-[butyryl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]phenyl]-N-(2-methyl-5-nitro-phenyl)sulfonyl-butyramide Formula: C28H30N4O10S2 MolecularWeight: 646.6886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC=C(C=C1)N(C(=O)CCC)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCC(=O)N(C1=CC=C(C=C1)N(C(=O)CCC)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C28H30N4O10S2/c1-5-7-27(33)29(43(39,40)25-17-23(31(35)36)11-9-19(25)3)21-13-15-22(16-14-21)30(28(34)8-6-2)44(41,42)26-18-24(32(37)38)12-10-20(26)4/h9-18H,5-8H2,1-4H3