N-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]quinoline-8-sulfonamide

Systemtic Name: N-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]quinoline-8-sulfonamide Openeye Name: N-[2-methyl-1-(4-octanoylpiperazine-1-carbonyl)butyl]quinoline-8-sulfonamide CAS Name: N-[3-methyl-1-oxo-1-[4-(1-oxooctyl)-1-piperazinyl]pentan-2-yl]-8-quinolinesulfonamide IUPAC Name: N-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]quinoline-8-sulfonamide Traditional Name: N-[1-(4-caprylylpiperazine-1-carbonyl)-2-methyl-butyl]quinoline-8-sulfonamide Formula: C27H40N4O4S MolecularWeight: 516.6959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C27H40N4O4S/c1-4-6-7-8-9-15-24(32)30-17-19-31(20-18-30)27(33)25(21(3)5-2)29-36(34,35)23-14-10-12-22-13-11-16-28-26(22)23/h10-14,16,21,25,29H,4-9,15,17-20H2,1-3H3