N-[1-(1-adamantyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[1-(1-adamantyl)ethyl]benzamide CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[1-(1-adamantyl)ethyl]benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[1-(1-adamantyl)ethyl]benzamide Traditional Name: 4-(4-acetylpiperazino)sulfonyl-N-[1-(1-adamantyl)ethyl]benzamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C(=O)C

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C(=O)C

InChI

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