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

Systemtic Name: 4-methylsulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-aniline Openeye Name: 4-methylsulfonyl-N-[2-(2-methylthiazol-4-yl)ethyl]-2-nitro-aniline CAS Name: 4-methylsulfonyl-N-[2-(2-methyl-4-thiazolyl)ethyl]-2-nitroaniline IUPAC Name: 4-methylsulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[2-(2-methylthiazol-4-yl)ethyl]amine Formula: C13H15N3O4S2 MolecularWeight: 341.4059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4S2/c1-9-15-10(8-21-9)5-6-14-12-4-3-11(22(2,19)20)7-13(12)16(17)18/h3-4,7-8,14H,5-6H2,1-2H3