[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone

Systemtic Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Openeye Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-yl-3-piperidyl)methanone CAS Name: [4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-[1-(2-pyrazinyl)-3-piperidinyl]methanone IUPAC Name: [4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Traditional Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-(1-pyrazin-2-yl-3-piperidyl)methanone Formula: C21H26N6O6S MolecularWeight: 490.53274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C4=NC=CN=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C4=NC=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O6S/c1-33-19-5-4-17(13-18(19)27(29)30)34(31,32)26-11-9-24(10-12-26)21(28)16-3-2-8-25(15-16)20-14-22-6-7-23-20/h4-7,13-14,16H,2-3,8-12,15H2,1H3