(2-methoxy-5-nitro-phenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (2-methoxy-5-nitro-phenyl)-(4-tetralin-6-ylsulfonylpiperazin-1-yl)methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (2-methoxy-5-nitrophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-(4-tetralin-6-ylsulfonylpiperazino)methanone Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C22H25N3O6S/c1-31-21-9-7-18(25(27)28)15-20(21)22(26)23-10-12-24(13-11-23)32(29,30)19-8-6-16-4-2-3-5-17(16)14-19/h6-9,14-15H,2-5,10-13H2,1H3