1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine

Systemtic Name: 1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine Openeye Name: 1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine CAS Name: 1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C22H32N2O4S/c1-27-20-4-3-19(12-21(20)28-2)29(25,26)24-7-5-23(6-8-24)22-13-16-9-17(14-22)11-18(10-16)15-22/h3-4,12,16-18H,5-11,13-15H2,1-2H3