4-cyclohexyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 4-cyclohexyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 4-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 4-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 4-cyclohexyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: 4-cyclohexyl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-31(29,30)19-11-12-20(21(15-19)25(27)28)23-13-14-24-22(26)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-12,15-16,23H,2-6,13-14H2,1H3,(H,24,26)