N-(1-adamantyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1-adamantyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-adamantyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(1-adamantyl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-adamantyl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(1-adamantyl)benzamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O4S/c1-16(27)25-5-7-26(8-6-25)31(29,30)21-4-2-3-20(12-21)22(28)24-23-13-17-9-18(14-23)11-19(10-17)15-23/h2-4,12,17-19H,5-11,13-15H2,1H3,(H,24,28)