1-[4-[4-[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[[1-(6-chloro-3-pyridazinyl)-3-piperidinyl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[1-(6-chloropyridazin-3-yl)nipecotoyl]piperazino]sulfonylphenyl]ethanone Formula: C22H26ClN5O4S MolecularWeight: 491.99094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C4=NN=C(C=C4)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN5O4S/c1-16(29)17-4-6-19(7-5-17)33(31,32)28-13-11-26(12-14-28)22(30)18-3-2-10-27(15-18)21-9-8-20(23)24-25-21/h4-9,18H,2-3,10-15H2,1H3