methanesulfonic acid; 1-[6-(phenylsulfonyl)pyridin-3-yl]-1,4-diazepane

Systemtic Name: methanesulfonic acid; 1-[6-(phenylsulfonyl)pyridin-3-yl]-1,4-diazepane Openeye Name: 1-[6-(benzenesulfonyl)-3-pyridyl]-1,4-diazepane; methanesulfonic acid CAS Name: 1-[6-(benzenesulfonyl)-3-pyridinyl]-1,4-diazepane; methanesulfonic acid IUPAC Name: 1-[6-(benzenesulfonyl)pyridin-3-yl]-1,4-diazepane; methanesulfonic acid Traditional Name: 1-(6-besyl-3-pyridyl)-1,4-diazepane; mesylic acid Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CNCCN(C1)C2=CN=C(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)O.C1CNCCN(C1)C2=CN=C(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O2S.CH4O3S/c20-22(21,15-5-2-1-3-6-15)16-8-7-14(13-18-16)19-11-4-9-17-10-12-19;1-5(2,3)4/h1-3,5-8,13,17H,4,9-12H2;1H3,(H,2,3,4)