N-[4-(4-octanoylpiperazin-1-yl)phenyl]quinoline-8-sulfonamide

Systemtic Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]quinoline-8-sulfonamide Openeye Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]quinoline-8-sulfonamide CAS Name: N-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]-8-quinolinesulfonamide IUPAC Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]quinoline-8-sulfonamide Traditional Name: N-[4-(4-caprylylpiperazino)phenyl]quinoline-8-sulfonamide Formula: C27H34N4O3S MolecularWeight: 494.64886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C27H34N4O3S/c1-2-3-4-5-6-12-26(32)31-20-18-30(19-21-31)24-15-13-23(14-16-24)29-35(33,34)25-11-7-9-22-10-8-17-28-27(22)25/h7-11,13-17,29H,2-6,12,18-21H2,1H3