N-[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(5-methyl-2-furanyl)-2-(4-morpholinyl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]amine Formula: C18H23N3O6S MolecularWeight: 409.45672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=CC=C(O1)C(CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H23N3O6S/c1-13-3-6-18(27-13)17(20-7-9-26-10-8-20)12-19-15-5-4-14(28(2,24)25)11-16(15)21(22)23/h3-6,11,17,19H,7-10,12H2,1-2H3