N-[3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]octadecanamide

Systemtic Name: N-[3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]octadecanamide Openeye Name: N-[3-[4-(benzenesulfonyl)piperazin-1-yl]propyl]octadecanamide CAS Name: N-[3-[4-(benzenesulfonyl)-1-piperazinyl]propyl]octadecanamide IUPAC Name: N-[3-[4-(benzenesulfonyl)piperazin-1-yl]propyl]octadecanamide Traditional Name: N-[3-(4-besylpiperazino)propyl]stearamide Formula: C31H55N3O3S MolecularWeight: 549.8517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCCN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCCN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C31H55N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-31(35)32-24-20-25-33-26-28-34(29-27-33)38(36,37)30-21-17-16-18-22-30/h16-18,21-22H,2-15,19-20,23-29H2,1H3,(H,32,35)