1-[3-[4-[(6-chloranylpyridin-3-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[(6-chloranylpyridin-3-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[(6-chloro-3-pyridyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[(6-chloro-3-pyridinyl)methyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[(6-chloropyridin-3-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-[(6-chloro-3-pyridyl)methyl]piperazino]sulfonylphenyl]ethanone Formula: C18H20ClN3O3S MolecularWeight: 393.8877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CN=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CN=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O3S/c1-14(23)16-3-2-4-17(11-16)26(24,25)22-9-7-21(8-10-22)13-15-5-6-18(19)20-12-15/h2-6,11-12H,7-10,13H2,1H3