N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O4S/c1-17-3-4-22(18(2)9-17)33(31,32)28-7-5-27(6-8-28)23(29)16-26-24(30)25-13-19-10-20(14-25)12-21(11-19)15-25/h3-4,9,19-21H,5-8,10-16H2,1-2H3,(H,26,30)