(4-methoxy-3-nitro-phenyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: (4-methoxy-3-nitro-phenyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (4-methoxy-3-nitro-phenyl)-[4-(3-pyridylsulfonyl)piperazin-1-yl]methanone CAS Name: (4-methoxy-3-nitrophenyl)-[4-(3-pyridinylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (4-methoxy-3-nitrophenyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone Traditional Name: (4-methoxy-3-nitro-phenyl)-[4-(3-pyridylsulfonyl)piperazino]methanone Formula: C17H18N4O6S MolecularWeight: 406.41302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O6S/c1-27-16-5-4-13(11-15(16)21(23)24)17(22)19-7-9-20(10-8-19)28(25,26)14-3-2-6-18-12-14/h2-6,11-12H,7-10H2,1H3