N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-9H-xanthene-9-carboxamide Formula: C23H21N3O6S MolecularWeight: 467.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O6S/c1-33(30,31)15-10-11-18(19(14-15)26(28)29)24-12-13-25-23(27)22-16-6-2-4-8-20(16)32-21-9-5-3-7-17(21)22/h2-11,14,22,24H,12-13H2,1H3,(H,25,27)