N-(1-adamantyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(1-adamantyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: N-(1-adamantyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(1-adamantyl)-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(1-adamantyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: N-(1-adamantyl)-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzamide Formula: C27H32FN3O3S MolecularWeight: 497.624683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H32FN3O3S/c28-23-4-6-24(7-5-23)30-8-10-31(11-9-30)35(33,34)25-3-1-2-22(15-25)26(32)29-27-16-19-12-20(17-27)14-21(13-19)18-27/h1-7,15,19-21H,8-14,16-18H2,(H,29,32)