(3-chloranyl-1-adamantyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chloro-1-adamantyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (3-chloro-1-adamantyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-adamantyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chloro-1-adamantyl)-(4-tosylpiperazino)methanone Formula: C22H29ClN2O3S MolecularWeight: 436.99526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O3S/c1-16-2-4-19(5-3-16)29(27,28)25-8-6-24(7-9-25)20(26)21-11-17-10-18(12-21)14-22(23,13-17)15-21/h2-5,17-18H,6-15H2,1H3