1-[4-[4-[(3-chloranyl-1-adamantyl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-chloranyl-1-adamantyl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(3-chloroadamantane-1-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(3-chloro-1-adamantyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3-chloroadamantane-1-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(3-chloroadamantane-1-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C23H29ClN2O4S MolecularWeight: 465.00536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O4S/c1-16(27)19-2-4-20(5-3-19)31(29,30)26-8-6-25(7-9-26)21(28)22-11-17-10-18(12-22)14-23(24,13-17)15-22/h2-5,17-18H,6-15H2,1H3