N-(2-chloranyl-5-nitro-phenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]benzamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]benzamide Formula: C22H20ClN3O5S2 MolecularWeight: 505.9943

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H20ClN3O5S2/c1-3-25(33(30,31)19-11-9-18(32-2)10-12-19)16-6-4-15(5-7-16)22(27)24-21-14-17(26(28)29)8-13-20(21)23/h4-14H,3H2,1-2H3,(H,24,27)