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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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