1-[6-[4-(phenylsulfonyl)piperazin-1-yl]pyridazin-3-yl]azepane

Systemtic Name: 1-[6-[4-(phenylsulfonyl)piperazin-1-yl]pyridazin-3-yl]azepane Openeye Name: 1-[6-[4-(benzenesulfonyl)piperazin-1-yl]pyridazin-3-yl]azepane CAS Name: 1-[6-[4-(benzenesulfonyl)-1-piperazinyl]-3-pyridazinyl]azepane IUPAC Name: 1-[6-[4-(benzenesulfonyl)piperazin-1-yl]pyridazin-3-yl]azepane Traditional Name: 1-[6-(4-besylpiperazino)pyridazin-3-yl]azepane Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H27N5O2S/c26-28(27,18-8-4-3-5-9-18)25-16-14-24(15-17-25)20-11-10-19(21-22-20)23-12-6-1-2-7-13-23/h3-5,8-11H,1-2,6-7,12-17H2