2-[methyl-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[methyl-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[N-methyl-2-nitro-4-(1-piperidylsulfonyl)anilino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[N-methyl-2-nitro-4-(1-piperidinylsulfonyl)anilino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-(N-methyl-2-nitro-4-piperidinosulfonyl-anilino)-N-[2-(methylthio)phenyl]acetamide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S2/c1-23(15-21(26)22-17-8-4-5-9-20(17)31-2)18-11-10-16(14-19(18)25(27)28)32(29,30)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,26)