1-(1-adamantyl)-4-[4-(4-nitrophenoxy)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(1-adamantyl)-4-[4-(4-nitrophenoxy)phenyl]sulfonyl-piperazine Openeye Name: 1-(1-adamantyl)-4-[4-(4-nitrophenoxy)phenyl]sulfonyl-piperazine CAS Name: 1-(1-adamantyl)-4-[4-(4-nitrophenoxy)phenyl]sulfonylpiperazine IUPAC Name: 1-(1-adamantyl)-4-[4-(4-nitrophenoxy)phenyl]sulfonylpiperazine Traditional Name: 1-(1-adamantyl)-4-[4-(4-nitrophenoxy)phenyl]sulfonyl-piperazine Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O5S/c30-29(31)22-1-3-23(4-2-22)34-24-5-7-25(8-6-24)35(32,33)28-11-9-27(10-12-28)26-16-19-13-20(17-26)15-21(14-19)18-26/h1-8,19-21H,9-18H2