(3-chloranyl-1-adamantyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chloro-1-adamantyl)-[4-[(E)-styryl]sulfonylpiperazin-1-yl]methanone CAS Name: (3-chloro-1-adamantyl)-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-adamantyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chloro-1-adamantyl)-[4-[(E)-styryl]sulfonylpiperazino]methanone Formula: C23H29ClN2O3S MolecularWeight: 449.00596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)(C3)Cl)S(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O3S/c24-23-15-19-12-20(16-23)14-22(13-19,17-23)21(27)25-7-9-26(10-8-25)30(28,29)11-6-18-4-2-1-3-5-18/h1-6,11,19-20H,7-10,12-17H2/b11-6+