1-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane

Systemtic Name: 1-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane Openeye Name: 1-[6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyridazin-3-yl]azepane CAS Name: 1-[6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-pyridazinyl]azepane IUPAC Name: 1-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane Traditional Name: 1-[6-(4-tosylpiperazino)pyridazin-3-yl]azepane Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C21H29N5O2S/c1-18-6-8-19(9-7-18)29(27,28)26-16-14-25(15-17-26)21-11-10-20(22-23-21)24-12-4-2-3-5-13-24/h6-11H,2-5,12-17H2,1H3