1-(1-adamantyl)-4-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-piperazine

Systemtic Name: 1-(1-adamantyl)-4-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-piperazine Openeye Name: 1-(1-adamantyl)-4-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(1-adamantyl)-4-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(1-adamantyl)-4-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-(1-adamantyl)-4-(2,5-dichloro-4-methoxy-phenyl)sulfonyl-piperazine Formula: C21H28Cl2N2O3S MolecularWeight: 459.42962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C21H28Cl2N2O3S/c1-28-19-9-18(23)20(10-17(19)22)29(26,27)25-4-2-24(3-5-25)21-11-14-6-15(12-21)8-16(7-14)13-21/h9-10,14-16H,2-8,11-13H2,1H3