(5-methoxy-2-oxidanyl-phenyl)-[1-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)pyrazol-4-yl]methanone

Systemtic Name: (5-methoxy-2-oxidanyl-phenyl)-[1-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)pyrazol-4-yl]methanone Openeye Name: (2-hydroxy-5-methoxy-phenyl)-[1-(2-morpholinosulfonyl-4-nitro-phenyl)pyrazol-4-yl]methanone CAS Name: (2-hydroxy-5-methoxyphenyl)-[1-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]-4-pyrazolyl]methanone IUPAC Name: (2-hydroxy-5-methoxyphenyl)-[1-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)pyrazol-4-yl]methanone Traditional Name: (2-hydroxy-5-methoxy-phenyl)-[1-(2-morpholinosulfonyl-4-nitro-phenyl)pyrazol-4-yl]methanone Formula: C21H20N4O8S MolecularWeight: 488.4705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H20N4O8S/c1-32-16-3-5-19(26)17(11-16)21(27)14-12-22-24(13-14)18-4-2-15(25(28)29)10-20(18)34(30,31)23-6-8-33-9-7-23/h2-5,10-13,26H,6-9H2,1H3