[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [1-(6-chloropyridazin-3-yl)-3-piperidyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [1-(6-chloro-3-pyridazinyl)-3-piperidinyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [1-(6-chloropyridazin-3-yl)-3-piperidyl]-(4-tosylpiperazino)methanone Formula: C21H26ClN5O3S MolecularWeight: 463.98084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C4=NN=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C21H26ClN5O3S/c1-16-4-6-18(7-5-16)31(29,30)27-13-11-25(12-14-27)21(28)17-3-2-10-26(15-17)20-9-8-19(22)23-24-20/h4-9,17H,2-3,10-15H2,1H3