N-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]adamantane-1-carboxamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4S/c29-23(18-26-24(30)25-15-20-12-21(16-25)14-22(13-20)17-25)27-7-9-28(10-8-27)33(31,32)11-6-19-4-2-1-3-5-19/h1-6,11,20-22H,7-10,12-18H2,(H,26,30)/b11-6+