N-cyclooctyl-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-cyclooctyl-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-cyclooctyl-benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-cyclooctylbenzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-cyclooctylbenzamide Traditional Name: 3-[(4-besylpiperazino)methyl]-N-cyclooctyl-benzamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H35N3O3S/c30-26(27-24-12-5-2-1-3-6-13-24)23-11-9-10-22(20-23)21-28-16-18-29(19-17-28)33(31,32)25-14-7-4-8-15-25/h4,7-11,14-15,20,24H,1-3,5-6,12-13,16-19,21H2,(H,27,30)