2-(1-adamantyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O6S/c1-32-21-3-2-19(11-20(21)26(28)29)33(30,31)25-6-4-24(5-7-25)22(27)15-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-3,11,16-18H,4-10,12-15H2,1H3