4-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzamide Openeye Name: 4-methylsulfanyl-N-(2-morpholino-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide CAS Name: 4-(methylthio)-N-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-(methylthio)-N-(2-morpholino-5-morpholinosulfonyl-phenyl)-3-nitro-benzamide Formula: C22H26N4O7S2 MolecularWeight: 522.59444

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O7S2/c1-34-21-5-2-16(14-20(21)26(28)29)22(27)23-18-15-17(35(30,31)25-8-12-33-13-9-25)3-4-19(18)24-6-10-32-11-7-24/h2-5,14-15H,6-13H2,1H3,(H,23,27)