2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[methyl-[4-(methylamino)-3-nitrophenyl]sulfonylamino]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[methyl-[4-(methylamino)-3-nitrophenyl]sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]-N-[2-(phenylthio)phenyl]acetamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S2/c1-23-18-13-12-17(14-20(18)26(28)29)33(30,31)25(2)15-22(27)24-19-10-6-7-11-21(19)32-16-8-4-3-5-9-16/h3-14,23H,15H2,1-2H3,(H,24,27)