1-(1-adamantyl)-4-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-piperazine

Systemtic Name: 1-(1-adamantyl)-4-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-piperazine Openeye Name: 1-(1-adamantyl)-4-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-piperazine CAS Name: 1-(1-adamantyl)-4-[3-(4-chlorophenyl)sulfonylphenyl]sulfonylpiperazine IUPAC Name: 1-(1-adamantyl)-4-[3-(4-chlorophenyl)sulfonylphenyl]sulfonylpiperazine Traditional Name: 1-(1-adamantyl)-4-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-piperazine Formula: C26H31ClN2O4S2 MolecularWeight: 535.11834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC(=C5)S(=O)(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CN(CCN1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC(=C5)S(=O)(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C26H31ClN2O4S2/c27-22-4-6-23(7-5-22)34(30,31)24-2-1-3-25(15-24)35(32,33)29-10-8-28(9-11-29)26-16-19-12-20(17-26)14-21(13-19)18-26/h1-7,15,19-21H,8-14,16-18H2