N-cyclooctyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-cyclooctyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-cyclooctyl-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-cyclooctyl-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: N-cyclooctyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-cyclooctyl-3-[(4-tosylpiperazino)methyl]benzamide Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C27H37N3O3S/c1-22-12-14-26(15-13-22)34(32,33)30-18-16-29(17-19-30)21-23-8-7-9-24(20-23)27(31)28-25-10-5-3-2-4-6-11-25/h7-9,12-15,20,25H,2-6,10-11,16-19,21H2,1H3,(H,28,31)