1-adamantyl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(3,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H32N2O3S/c1-16-3-4-21(9-17(16)2)29(27,28)25-7-5-24(6-8-25)22(26)23-13-18-10-19(14-23)12-20(11-18)15-23/h3-4,9,18-20H,5-8,10-15H2,1-2H3