1-adamantyl-[4-[2,3-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[2,3-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(2,3-dichlorophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(2,3-dichlorophenyl)sulfonylpiperazino]methanone Formula: C21H26Cl2N2O3S MolecularWeight: 457.41374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=C(C(=CC=C5)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=C(C(=CC=C5)Cl)Cl

InChI

InChI=1S/C21H26Cl2N2O3S/c22-17-2-1-3-18(19(17)23)29(27,28)25-6-4-24(5-7-25)20(26)21-11-14-8-15(12-21)10-16(9-14)13-21/h1-3,14-16H,4-13H2