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

Systemtic Name: N-[1-(1-adamantyl)propyl]-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[1-(1-adamantyl)propyl]benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[1-(1-adamantyl)propyl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[1-(1-adamantyl)propyl]benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-[1-(1-adamantyl)propyl]benzamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O4S/c1-3-24(26-15-19-11-20(16-26)13-21(12-19)17-26)27-25(31)22-5-4-6-23(14-22)34(32,33)29-9-7-28(8-10-29)18(2)30/h4-6,14,19-21,24H,3,7-13,15-17H2,1-2H3,(H,27,31)