N-[2-methyl-4-[3-[(2-nitrophenyl)amino]propanoylamino]phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-methyl-4-[3-[(2-nitrophenyl)amino]propanoylamino]phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-methyl-4-[3-(2-nitroanilino)propanoylamino]phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-methyl-4-[[3-(2-nitroanilino)-1-oxopropyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-methyl-4-[3-(2-nitroanilino)propanoylamino]phenyl]-3-methylsulfonylbenzamide Traditional Name: 3-mesyl-N-[2-methyl-4-[3-(2-nitroanilino)propanoylamino]phenyl]benzamide Formula: C24H24N4O6S MolecularWeight: 496.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C24H24N4O6S/c1-16-14-18(26-23(29)12-13-25-21-8-3-4-9-22(21)28(31)32)10-11-20(16)27-24(30)17-6-5-7-19(15-17)35(2,33)34/h3-11,14-15,25H,12-13H2,1-2H3,(H,26,29)(H,27,30)