N-(2-methyl-5-nitro-phenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[4-(p-tolylsulfonylamino)phenyl]sulfanyl-acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]thio]acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[[4-(tosylamino)phenyl]thio]acetamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H21N3O5S2/c1-15-3-11-20(12-4-15)32(29,30)24-17-6-9-19(10-7-17)31-14-22(26)23-21-13-18(25(27)28)8-5-16(21)2/h3-13,24H,14H2,1-2H3,(H,23,26)