4-methylsulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-methylsulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-methylsulfonyl-N-[[4-(2-methylthiazol-4-yl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-methylsulfonyl-N-[[4-(2-methyl-4-thiazolyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-methylsulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-mesyl-N-[4-(2-methylthiazol-4-yl)benzyl]-3-nitro-benzamide Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S2/c1-12-21-16(11-28-12)14-5-3-13(4-6-14)10-20-19(23)15-7-8-18(29(2,26)27)17(9-15)22(24)25/h3-9,11H,10H2,1-2H3,(H,20,23)