1-(1-adamantyl)-4-[3,4-bis(chloranyl)-2-methoxy-phenyl]sulfonyl-piperazine

Systemtic Name: 1-(1-adamantyl)-4-[3,4-bis(chloranyl)-2-methoxy-phenyl]sulfonyl-piperazine Openeye Name: 1-(1-adamantyl)-4-(3,4-dichloro-2-methoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(1-adamantyl)-4-(3,4-dichloro-2-methoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(1-adamantyl)-4-(3,4-dichloro-2-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-(1-adamantyl)-4-(3,4-dichloro-2-methoxy-phenyl)sulfonyl-piperazine Formula: C21H28Cl2N2O3S MolecularWeight: 459.42962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28Cl2N2O3S/c1-28-20-18(3-2-17(22)19(20)23)29(26,27)25-6-4-24(5-7-25)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-3,14-16H,4-13H2,1H3