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

Systemtic Name: 2-adamantyl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 2-adamantyl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 2-adamantyl-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 2-adamantyl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 2-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)C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3C4CC5CC(C4)CC3C5)C

InChI

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