1-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]azepane

Systemtic Name: 1-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]azepane Openeye Name: 1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]azepane CAS Name: 1-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]azepane IUPAC Name: 1-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]azepane Traditional Name: 1-[5-(4-methylpiperazino)sulfonyl-2-pyridyl]azepane Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCCCCC3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C16H26N4O2S/c1-18-10-12-20(13-11-18)23(21,22)15-6-7-16(17-14-15)19-8-4-2-3-5-9-19/h6-7,14H,2-5,8-13H2,1H3