N-[3-methoxy-4-(methylsulfonylamino)phenyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-[3-methoxy-4-(methylsulfonylamino)phenyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[4-(methanesulfonamido)-3-methoxy-phenyl]-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-[4-(methanesulfonamido)-3-methoxyphenyl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[4-(methanesulfonamido)-3-methoxy-phenyl]-3-nitro-4-(p-tolylthio)benzamide Formula: C22H21N3O6S2 MolecularWeight: 487.54864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)NS(=O)(=O)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)NS(=O)(=O)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6S2/c1-14-4-8-17(9-5-14)32-21-11-6-15(12-19(21)25(27)28)22(26)23-16-7-10-18(20(13-16)31-2)24-33(3,29)30/h4-13,24H,1-3H3,(H,23,26)